N-(1-butylpiperidin-4-yl)azepane-2-carboxamide

C16H31N3O — CID 64561841

IUPACN-(1-butylpiperidin-4-yl)azepane-2-carboxamide
SMILESCCCCN1CCC(NC(=O)C2CCCCCN2)CC1
InChIInChI=1S/C16H31N3O/c1-2-3-11-19-12-8-14(9-13-19)18-16(20)15-7-5-4-6-10-17-15/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyOEWMOVDLMKRRNM-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.90
Rot. Bonds5

About N-(1-butylpiperidin-4-yl)azepane-2-carboxamide

N-(1-butylpiperidin-4-yl)azepane-2-carboxamide (PubChem CID 64561841) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)azepane-2-carboxamide
PubChem CID64561841
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(1-butylpiperidin-4-yl)azepane-2-carboxamide
SMILESCCCCN1CCC(NC(=O)C2CCCCCN2)CC1
InChIInChI=1S/C16H31N3O/c1-2-3-11-19-12-8-14(9-13-19)18-16(20)15-7-5-4-6-10-17-15/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyOEWMOVDLMKRRNM-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 93469163
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide
CID 64564001
(2R)-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119841057
N-cyclopentylazepane-2-carboxamide
CID 64564743
(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide
CID 103808776
(2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 103813420
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
N-(4-ethylcyclohexyl)piperidine-2-carboxamide;hydrochloride
CID 119285364
(2R)-N-(1-cyclopentylpiperidin-4-yl)piperidine-2-carboxamide;dihydrochloride
CID 119846635
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003
(2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119879117
N-(4-aminocyclohexyl)azepane-2-carboxamide
CID 64569941

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)azepane-2-carboxamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)azepane-2-carboxamide (CID 64561841) is N-(1-butylpiperidin-4-yl)azepane-2-carboxamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)azepane-2-carboxamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)azepane-2-carboxamide is CCCCN1CCC(NC(=O)C2CCCCCN2)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)azepane-2-carboxamide?
The InChIKey is OEWMOVDLMKRRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-2-3-11-19-12-8-14(9-13-19)18-16(20)15-7-5-4-6-10-17-15/h14-15,17H,2-13H2,1H3,(H,18,20).
What are the key properties of N-(1-butylpiperidin-4-yl)azepane-2-carboxamide?
N-(1-butylpiperidin-4-yl)azepane-2-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)azepane-2-carboxamide is sourced from PubChem (CID 64561841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).