4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide

C24H38N2O — CID 108737739

IUPAC4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C24H38N2O/c1-3-4-5-20-6-10-22(11-7-20)24(27)25-23-12-8-21(9-13-23)18-26-16-14-19(2)15-17-26/h8-9,12-13,19-20,22H,3-7,10-11,14-18H2,1-2H3,(H,25,27)
InChIKeyTUFQWZUOLZZPPS-UHFFFAOYSA-N
MW370.58 g/mol
LogP5.85
Rot. Bonds7

About 4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide

4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 108737739) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
PubChem CID108737739
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C24H38N2O/c1-3-4-5-20-6-10-22(11-7-20)24(27)25-23-12-8-21(9-13-23)18-26-16-14-19(2)15-17-26/h8-9,12-13,19-20,22H,3-7,10-11,14-18H2,1-2H3,(H,25,27)
InChIKeyTUFQWZUOLZZPPS-UHFFFAOYSA-N
XLogP5.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448
N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259804
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
N-[4-(2-bromo-3-methylbutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259475
4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide
CID 82259069
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
N-(4-ethylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146283
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide (CID 108737739) is 4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is TUFQWZUOLZZPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O/c1-3-4-5-20-6-10-22(11-7-20)24(27)25-23-12-8-21(9-13-23)18-26-16-14-19(2)15-17-26/h8-9,12-13,19-20,22H,3-7,10-11,14-18H2,1-2H3,(H,25,27).
What are the key properties of 4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide?
4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 370.58 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 108737739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).