(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone

C146H204N20O14 — CID 160944024

IUPAC(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(C)cc2)CC1.CCN1CCN(C(=O)c2cccc(C)c2)CC1.COCCN1CCN(C(=O)c2ccc(C)cc2)CC1.COCCN1CCN(C(=O)c2cccc(C)c2)CC1.Cc1ccc(C(=O)N(C)CCc2ccccn2)cc1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1.Cc1ccc(C(=O)N2CCN(CCO)CC2)cc1.Cc1ccc(C(=O)NCCN2CCOCC2)cc1.Cc1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C18H26N2O.C16H18N2O.2C15H22N2O2.2C14H20N2O2.2C14H20N2O.2C13H18N2O/c1-15-7-9-16(10-8-15)18(21)20-13-11-19(12-14-20)17-5-3-2-4-6-17;1-13-6-8-14(9-7-13)16(19)18(2)12-10-15-5-3-4-11-17-15;1-13-3-5-14(6-4-13)15(18)17-9-7-16(8-10-17)11-12-19-2;1-13-4-3-5-14(12-13)15(18)17-8-6-16(7-9-17)10-11-19-2;1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17;1-12-2-4-13(5-3-12)14(17)15-6-7-16-8-10-18-11-9-16;1-3-15-8-10-16(11-9-15)14(17)13-6-4-12(2)5-7-13;1-3-15-7-9-16(10-8-15)14(17)13-6-4-5-12(2)11-13;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-11-4-3-5-12(10-11)13(16)15-8-6-14(2)7-9-15/h7-10,17H,2-6,11-14H2,1H3;3-9,11H,10,12H2,1-2H3;3-6H,7-12H2,1-2H3;3-5,12H,6-11H2,1-2H3;2-5,17H,6-11H2,1H3;2-5H,6-11H2,1H3,(H,15,17);4-7H,3,8-11H2,1-2H3;4-6,11H,3,7-10H2,1-2H3;3-6H,7-10H2,1-2H3;3-5,10H,6-9H2,1-2H3
InChIKeySUWKUNXNAWDIJW-UHFFFAOYSA-N
MW2463.36 g/mol
LogP16.70
Rot. Bonds27

About (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 160944024) has the molecular formula C146H204N20O14 and a molecular weight of 2463.36 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID160944024
Molecular FormulaC146H204N20O14
Molecular Weight2463.36 g/mol
Exact Mass2461.59
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(C)cc2)CC1.CCN1CCN(C(=O)c2cccc(C)c2)CC1.COCCN1CCN(C(=O)c2ccc(C)cc2)CC1.COCCN1CCN(C(=O)c2cccc(C)c2)CC1.Cc1ccc(C(=O)N(C)CCc2ccccn2)cc1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1.Cc1ccc(C(=O)N2CCN(CCO)CC2)cc1.Cc1ccc(C(=O)NCCN2CCOCC2)cc1.Cc1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C18H26N2O.C16H18N2O.2C15H22N2O2.2C14H20N2O2.2C14H20N2O.2C13H18N2O/c1-15-7-9-16(10-8-15)18(21)20-13-11-19(12-14-20)17-5-3-2-4-6-17;1-13-6-8-14(9-7-13)16(19)18(2)12-10-15-5-3-4-11-17-15;1-13-3-5-14(6-4-13)15(18)17-9-7-16(8-10-17)11-12-19-2;1-13-4-3-5-14(12-13)15(18)17-8-6-16(7-9-17)10-11-19-2;1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17;1-12-2-4-13(5-3-12)14(17)15-6-7-16-8-10-18-11-9-16;1-3-15-8-10-16(11-9-15)14(17)13-6-4-12(2)5-7-13;1-3-15-7-9-16(10-8-15)14(17)13-6-4-5-12(2)11-13;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-11-4-3-5-12(10-11)13(16)15-8-6-14(2)7-9-15/h7-10,17H,2-6,11-14H2,1H3;3-9,11H,10,12H2,1-2H3;3-6H,7-12H2,1-2H3;3-5,12H,6-11H2,1-2H3;2-5,17H,6-11H2,1H3;2-5H,6-11H2,1H3,(H,15,17);4-7H,3,8-11H2,1-2H3;4-6,11H,3,7-10H2,1-2H3;3-6H,7-10H2,1-2H3;3-5,10H,6-9H2,1-2H3
InChIKeySUWKUNXNAWDIJW-UHFFFAOYSA-N
XLogP16.70
TPSA301.86 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002463.36
LogP ≤ 516.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone (CID 160944024) is (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(C)cc2)CC1.CCN1CCN(C(=O)c2cccc(C)c2)CC1.COCCN1CCN(C(=O)c2ccc(C)cc2)CC1.COCCN1CCN(C(=O)c2cccc(C)c2)CC1.Cc1ccc(C(=O)N(C)CCc2ccccn2)cc1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1.Cc1ccc(C(=O)N2CCN(CCO)CC2)cc1.Cc1ccc(C(=O)NCCN2CCOCC2)cc1.Cc1cccc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is SUWKUNXNAWDIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.C16H18N2O.2C15H22N2O2.2C14H20N2O2.2C14H20N2O.2C13H18N2O/c1-15-7-9-16(10-8-15)18(21)20-13-11-19(12-14-20)17-5-3-2-4-6-17;1-13-6-8-14(9-7-13)16(19)18(2)12-10-15-5-3-4-11-17-15;1-13-3-5-14(6-4-13)15(18)17-9-7-16(8-10-17)11-12-19-2;1-13-4-3-5-14(12-13)15(18)17-8-6-16(7-9-17)10-11-19-2;1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17;1-12-2-4-13(5-3-12)14(17)15-6-7-16-8-10-18-11-9-16;1-3-15-8-10-16(11-9-15)14(17)13-6-4-12(2)5-7-13;1-3-15-7-9-16(10-8-15)14(17)13-6-4-5-12(2)11-13;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-11-4-3-5-12(10-11)13(16)15-8-6-14(2)7-9-15/h7-10,17H,2-6,11-14H2,1H3;3-9,11H,10,12H2,1-2H3;3-6H,7-12H2,1-2H3;3-5,12H,6-11H2,1-2H3;2-5,17H,6-11H2,1H3;2-5H,6-11H2,1H3,(H,15,17);4-7H,3,8-11H2,1-2H3;4-6,11H,3,7-10H2,1-2H3;3-6H,7-10H2,1-2H3;3-5,10H,6-9H2,1-2H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 2463.36 g/mol, XLogP of 16.70, 27 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanone;N,4-dimethyl-N-(2-pyridin-2-ylethyl)benzamide;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone;(4-ethylpiperazin-1-yl)-(4-methylphenyl)methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone;[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;4-methyl-N-(2-morpholin-4-ylethyl)benzamide;(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 160944024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).