N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide

C16H29N3O — CID 116658214

IUPACN-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide
SMILESO=C(NC1CCC1)N1CCCCCC1C1CCNCC1
InChIInChI=1S/C16H29N3O/c20-16(18-14-5-4-6-14)19-12-3-1-2-7-15(19)13-8-10-17-11-9-13/h13-15,17H,1-12H2,(H,18,20)
InChIKeyITMCDHKSZLCBIE-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.49
Rot. Bonds2

About N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide

N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide (PubChem CID 116658214) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide
PubChem CID116658214
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide
SMILESO=C(NC1CCC1)N1CCCCCC1C1CCNCC1
InChIInChI=1S/C16H29N3O/c20-16(18-14-5-4-6-14)19-12-3-1-2-7-15(19)13-8-10-17-11-9-13/h13-15,17H,1-12H2,(H,18,20)
InChIKeyITMCDHKSZLCBIE-UHFFFAOYSA-N
XLogP2.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-piperidin-4-ylazepane-1-carboxamide
CID 63904195
4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024853
1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid
CID 61402855
2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone
CID 173143766
(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 134348850
phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
CID 95241507
2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one
CID 64611265
tert-butyl 2-piperidin-4-ylazepane-1-carboxylate
CID 64612498
N-cyclohexyl-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 127710002
2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 47766349
2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394797
(2R)-1-(cyclobutylcarbamoyl)piperidine-2-carboxylic acid
CID 94424057

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide?
The IUPAC name of N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide (CID 116658214) is N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide?
The canonical SMILES for N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide is O=C(NC1CCC1)N1CCCCCC1C1CCNCC1.
What is the InChIKey of N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide?
The InChIKey is ITMCDHKSZLCBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c20-16(18-14-5-4-6-14)19-12-3-1-2-7-15(19)13-8-10-17-11-9-13/h13-15,17H,1-12H2,(H,18,20).
What are the key properties of N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide?
N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide is sourced from PubChem (CID 116658214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).