[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone

C23H34ClN3O — CID 68596509

IUPAC[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESCc1ccc(NC2CCC(C(=O)N3CCN(C4CCCC4)CC3)CC2)cc1Cl
InChIInChI=1S/C23H34ClN3O/c1-17-6-9-20(16-22(17)24)25-19-10-7-18(8-11-19)23(28)27-14-12-26(13-15-27)21-4-2-3-5-21/h6,9,16,18-19,21,25H,2-5,7-8,10-15H2,1H3
InChIKeyNOWZJXVBJJGAMX-UHFFFAOYSA-N
MW404.00 g/mol
LogP4.71
Rot. Bonds4

About [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone

[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 68596509) has the molecular formula C23H34ClN3O and a molecular weight of 404.00 g/mol. Its IUPAC name is [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID68596509
Molecular FormulaC23H34ClN3O
Molecular Weight404.00 g/mol
Exact Mass403.24
IUPAC Name[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESCc1ccc(NC2CCC(C(=O)N3CCN(C4CCCC4)CC3)CC2)cc1Cl
InChIInChI=1S/C23H34ClN3O/c1-17-6-9-20(16-22(17)24)25-19-10-7-18(8-11-19)23(28)27-14-12-26(13-15-27)21-4-2-3-5-21/h6,9,16,18-19,21,25H,2-5,7-8,10-15H2,1H3
InChIKeyNOWZJXVBJJGAMX-UHFFFAOYSA-N
XLogP4.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.00
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 68595891
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146300
tert-butyl 4-(3-chloro-4-methylanilino)azepane-1-carboxylate
CID 103980355
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 67393705
N-[4-[[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]acetamide
CID 67394155
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
(4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone
CID 68596788

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone (CID 68596509) is [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone is Cc1ccc(NC2CCC(C(=O)N3CCN(C4CCCC4)CC3)CC2)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is NOWZJXVBJJGAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN3O/c1-17-6-9-20(16-22(17)24)25-19-10-7-18(8-11-19)23(28)27-14-12-26(13-15-27)21-4-2-3-5-21/h6,9,16,18-19,21,25H,2-5,7-8,10-15H2,1H3.
What are the key properties of [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone?
[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 404.00 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 68596509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).