N-cyclopentylazepane-2-carboxamide

C12H22N2O — CID 64564743

IUPACN-cyclopentylazepane-2-carboxamide
SMILESO=C(NC1CCCC1)C1CCCCCN1
InChIInChI=1S/C12H22N2O/c15-12(14-10-6-3-4-7-10)11-8-2-1-5-9-13-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyVIHMCJSEEGAHKZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.58
Rot. Bonds2

About N-cyclopentylazepane-2-carboxamide

N-cyclopentylazepane-2-carboxamide (PubChem CID 64564743) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-cyclopentylazepane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentylazepane-2-carboxamide
PubChem CID64564743
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-cyclopentylazepane-2-carboxamide
SMILESO=C(NC1CCCC1)C1CCCCCN1
InChIInChI=1S/C12H22N2O/c15-12(14-10-6-3-4-7-10)11-8-2-1-5-9-13-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyVIHMCJSEEGAHKZ-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)azepane-2-carboxamide
CID 64569941
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2S)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810217
(2R)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810216
N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide
CID 114123094
N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 114123028
(2S)-N-(oxan-3-yl)piperidine-2-carboxamide
CID 103810399
N-cyclohexylaziridine-2-carboxamide
CID 142164432
(2R)-N-(3,5-dimethylcyclohexyl)piperidine-2-carboxamide
CID 103811701
N-(4-ethylcyclohexyl)piperidine-2-carboxamide;hydrochloride
CID 119285364
(2R)-N-(1-cyclopentylpiperidin-4-yl)piperidine-2-carboxamide;dihydrochloride
CID 119846635
(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylazepane-2-carboxamide?
The IUPAC name of N-cyclopentylazepane-2-carboxamide (CID 64564743) is N-cyclopentylazepane-2-carboxamide.
What is the SMILES notation for N-cyclopentylazepane-2-carboxamide?
The canonical SMILES for N-cyclopentylazepane-2-carboxamide is O=C(NC1CCCC1)C1CCCCCN1.
What is the InChIKey of N-cyclopentylazepane-2-carboxamide?
The InChIKey is VIHMCJSEEGAHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12(14-10-6-3-4-7-10)11-8-2-1-5-9-13-11/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of N-cyclopentylazepane-2-carboxamide?
N-cyclopentylazepane-2-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylazepane-2-carboxamide is sourced from PubChem (CID 64564743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).