N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide

C13H25N3O — CID 107172623

IUPACN-(azepan-4-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCCNCC2)CC1
InChIInChI=1S/C13H25N3O/c1-11-5-9-16(10-6-11)13(17)15-12-3-2-7-14-8-4-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyVOQWCDPTRBEHNR-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.57
Rot. Bonds1

About N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide

N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 107172623) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-4-methylpiperidine-1-carboxamide
PubChem CID107172623
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(azepan-4-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCCNCC2)CC1
InChIInChI=1S/C13H25N3O/c1-11-5-9-16(10-6-11)13(17)15-12-3-2-7-14-8-4-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyVOQWCDPTRBEHNR-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azepan-4-yl)pyrrolidine-1-carboxamide
CID 107172613
N-[(3S)-piperidin-3-yl]piperidine-1-carboxamide
CID 104982501
N-(1-acetylpiperidin-4-yl)-4-methylpiperidine-1-carboxamide
CID 47240960
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
N-piperidin-4-ylmorpholine-4-carboxamide;hydrochloride
CID 53255683
4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 127236629
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 78917414
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 167917066
4-methyl-N-(4-propylcyclohexyl)piperidine-1-carboxamide
CID 115590990

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide (CID 107172623) is N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC2CCCNCC2)CC1.
What is the InChIKey of N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is VOQWCDPTRBEHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-5-9-16(10-6-11)13(17)15-12-3-2-7-14-8-4-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide?
N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 107172623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).