ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone

C26H45N3O — CID 143254253

IUPACethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone
SMILESCC.CC.CC(C)=Nc1cc(C(=O)N2CCN(C3CCC(C)CC3)CC2)ccc1C
InChIInChI=1S/C22H33N3O.2C2H6/c1-16(2)23-21-15-19(8-7-18(21)4)22(26)25-13-11-24(12-14-25)20-9-5-17(3)6-10-20;2*1-2/h7-8,15,17,20H,5-6,9-14H2,1-4H3;2*1-2H3
InChIKeyWJDJGMZJWXSJFG-UHFFFAOYSA-N
MW415.67 g/mol
LogP6.50
Rot. Bonds3

About ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone

ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone (PubChem CID 143254253) has the molecular formula C26H45N3O and a molecular weight of 415.67 g/mol. Its IUPAC name is ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone.

Molecular Properties

Compound Nameethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone
PubChem CID143254253
Molecular FormulaC26H45N3O
Molecular Weight415.67 g/mol
Exact Mass415.36
IUPAC Nameethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone
SMILESCC.CC.CC(C)=Nc1cc(C(=O)N2CCN(C3CCC(C)CC3)CC2)ccc1C
InChIInChI=1S/C22H33N3O.2C2H6/c1-16(2)23-21-15-19(8-7-18(21)4)22(26)25-13-11-24(12-14-25)20-9-5-17(3)6-10-20;2*1-2/h7-8,15,17,20H,5-6,9-14H2,1-4H3;2*1-2H3
InChIKeyWJDJGMZJWXSJFG-UHFFFAOYSA-N
XLogP6.50
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.67
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone with MolForge

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Related Compounds

[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 787175
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
ethyl 4-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074667
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
(4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone
CID 118548900
(4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone
CID 24781527
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193
[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 66202136
2-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidine-1-carbonyl]phenyl]guanidine
CID 142742923
2-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidine-1-carbonyl]phenyl]guanidine;hydrochloride
CID 142742922
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone?
The IUPAC name of ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone (CID 143254253) is ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone.
What is the SMILES notation for ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone?
The canonical SMILES for ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone is CC.CC.CC(C)=Nc1cc(C(=O)N2CCN(C3CCC(C)CC3)CC2)ccc1C.
What is the InChIKey of ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone?
The InChIKey is WJDJGMZJWXSJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O.2C2H6/c1-16(2)23-21-15-19(8-7-18(21)4)22(26)25-13-11-24(12-14-25)20-9-5-17(3)6-10-20;2*1-2/h7-8,15,17,20H,5-6,9-14H2,1-4H3;2*1-2H3.
What are the key properties of ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone?
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone has a molecular weight of 415.67 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone is sourced from PubChem (CID 143254253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).