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

C11H21N3O — CID 107172613

IUPACN-(azepan-4-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCNCC1)N1CCCC1
InChIInChI=1S/C11H21N3O/c15-11(14-8-1-2-9-14)13-10-4-3-6-12-7-5-10/h10,12H,1-9H2,(H,13,15)
InChIKeyROPHRTMHVCDCNU-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.93
Rot. Bonds1

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

N-(azepan-4-yl)pyrrolidine-1-carboxamide (PubChem CID 107172613) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(azepan-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)pyrrolidine-1-carboxamide
PubChem CID107172613
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(azepan-4-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCNCC1)N1CCCC1
InChIInChI=1S/C11H21N3O/c15-11(14-8-1-2-9-14)13-10-4-3-6-12-7-5-10/h10,12H,1-9H2,(H,13,15)
InChIKeyROPHRTMHVCDCNU-UHFFFAOYSA-N
XLogP0.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-piperidin-3-yl]piperidine-1-carboxamide
CID 104982501
N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide
CID 107172623
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-piperidin-4-ylmorpholine-4-carboxamide;hydrochloride
CID 53255683
1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119449955
N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 167917066
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
N-(azepan-4-yl)prop-2-ynamide
CID 107172306
N-(azepan-4-yl)cyclohexanecarboxamide
CID 105059767
N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107172304
N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide
CID 142009370

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(azepan-4-yl)pyrrolidine-1-carboxamide (CID 107172613) is N-(azepan-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(azepan-4-yl)pyrrolidine-1-carboxamide is O=C(NC1CCCNCC1)N1CCCC1.
What is the InChIKey of N-(azepan-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is ROPHRTMHVCDCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c15-11(14-8-1-2-9-14)13-10-4-3-6-12-7-5-10/h10,12H,1-9H2,(H,13,15).
What are the key properties of N-(azepan-4-yl)pyrrolidine-1-carboxamide?
N-(azepan-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 0.93, 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)pyrrolidine-1-carboxamide is sourced from PubChem (CID 107172613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).