N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

C21H30N2O2 — CID 109147914

IUPACN-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCC(C(=O)NCc3ccccc3)CC2)C1
InChIInChI=1S/C21H30N2O2/c1-16-6-5-13-23(15-16)21(25)19-11-9-18(10-12-19)20(24)22-14-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,22,24)
InChIKeyPESQRTUJMZQUMV-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.37
Rot. Bonds4

About N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109147914) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109147914
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCC(C(=O)NCc3ccccc3)CC2)C1
InChIInChI=1S/C21H30N2O2/c1-16-6-5-13-23(15-16)21(25)19-11-9-18(10-12-19)20(24)22-14-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,22,24)
InChIKeyPESQRTUJMZQUMV-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149065
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
N-(3-methylbutyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149725
4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109150093
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135486

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109147914) is N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is CC1CCCN(C(=O)C2CCC(C(=O)NCc3ccccc3)CC2)C1.
What is the InChIKey of N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is PESQRTUJMZQUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-6-5-13-23(15-16)21(25)19-11-9-18(10-12-19)20(24)22-14-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,22,24).
What are the key properties of N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).