N-pyrrolidin-3-ylazepane-1-carboxamide

C11H21N3O — CID 79151743

IUPACN-pyrrolidin-3-ylazepane-1-carboxamide
SMILESO=C(NC1CCNC1)N1CCCCCC1
InChIInChI=1S/C11H21N3O/c15-11(13-10-5-6-12-9-10)14-7-3-1-2-4-8-14/h10,12H,1-9H2,(H,13,15)
InChIKeyXFICCBUXMPULOU-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.93
Rot. Bonds1

About N-pyrrolidin-3-ylazepane-1-carboxamide

N-pyrrolidin-3-ylazepane-1-carboxamide (PubChem CID 79151743) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-pyrrolidin-3-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylazepane-1-carboxamide
PubChem CID79151743
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-pyrrolidin-3-ylazepane-1-carboxamide
SMILESO=C(NC1CCNC1)N1CCCCCC1
InChIInChI=1S/C11H21N3O/c15-11(13-10-5-6-12-9-10)14-7-3-1-2-4-8-14/h10,12H,1-9H2,(H,13,15)
InChIKeyXFICCBUXMPULOU-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)pyrrolidine-1-carboxamide
CID 107172613
1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119449955
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-(4-methylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 79161523
N-(3-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 79886370
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 79730724
1-(cyclopropanecarbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119453411
N-(4-aminocyclohexyl)azepane-1-carboxamide
CID 79152451
N-piperidin-4-ylmorpholine-4-carboxamide;hydrochloride
CID 53255683

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylazepane-1-carboxamide?
The IUPAC name of N-pyrrolidin-3-ylazepane-1-carboxamide (CID 79151743) is N-pyrrolidin-3-ylazepane-1-carboxamide.
What is the SMILES notation for N-pyrrolidin-3-ylazepane-1-carboxamide?
The canonical SMILES for N-pyrrolidin-3-ylazepane-1-carboxamide is O=C(NC1CCNC1)N1CCCCCC1.
What is the InChIKey of N-pyrrolidin-3-ylazepane-1-carboxamide?
The InChIKey is XFICCBUXMPULOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c15-11(13-10-5-6-12-9-10)14-7-3-1-2-4-8-14/h10,12H,1-9H2,(H,13,15).
What are the key properties of N-pyrrolidin-3-ylazepane-1-carboxamide?
N-pyrrolidin-3-ylazepane-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-pyrrolidin-3-ylazepane-1-carboxamide is sourced from PubChem (CID 79151743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).