4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide

C20H31N3O — CID 20907581

IUPAC4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CN3CCCCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-17-6-8-19(9-7-17)21-20(24)23-14-10-18(11-15-23)16-22-12-4-2-3-5-13-22/h6-9,18H,2-5,10-16H2,1H3,(H,21,24)
InChIKeySEHJJTDMMRESIR-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.11
Rot. Bonds3

About 4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide

4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 20907581) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID20907581
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CN3CCCCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-17-6-8-19(9-7-17)21-20(24)23-14-10-18(11-15-23)16-22-12-4-2-3-5-13-22/h6-9,18H,2-5,10-16H2,1H3,(H,21,24)
InChIKeySEHJJTDMMRESIR-UHFFFAOYSA-N
XLogP4.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845478
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 92731351
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide
CID 52998822
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
4-(azepan-1-ylmethyl)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]piperidine-1-carboxamide
CID 47041694
4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20930657
ethyl 3-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 6625829
4-(azepan-1-ylmethyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 47041657
4-(azepan-1-ylmethyl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-1-carboxamide
CID 56518428
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide (CID 20907581) is 4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(CN3CCCCCC3)CC2)cc1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is SEHJJTDMMRESIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-17-6-8-19(9-7-17)21-20(24)23-14-10-18(11-15-23)16-22-12-4-2-3-5-13-22/h6-9,18H,2-5,10-16H2,1H3,(H,21,24).
What are the key properties of 4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 20907581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).