N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide

C13H25N3O — CID 113360894

IUPACN-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide
SMILESCC(NC(=O)N1CCCCCC1)C1CCNC1
InChIInChI=1S/C13H25N3O/c1-11(12-6-7-14-10-12)15-13(17)16-8-4-2-3-5-9-16/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyQFJIGYUWMIVHSI-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.57
Rot. Bonds2

About N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide

N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide (PubChem CID 113360894) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide
PubChem CID113360894
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide
SMILESCC(NC(=O)N1CCCCCC1)C1CCNC1
InChIInChI=1S/C13H25N3O/c1-11(12-6-7-14-10-12)15-13(17)16-8-4-2-3-5-9-16/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyQFJIGYUWMIVHSI-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-piperidin-3-ylethyl)piperidine-1-carboxamide
CID 79155447
3-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 103977249
4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 103977255
N-(1-pyrrolidin-3-ylethyl)morpholine-4-carboxamide
CID 103977253
N-(1-piperidin-2-ylethyl)piperidine-1-carboxamide
CID 79155536
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
2-cyclopropyl-N-(1-pyrrolidin-3-ylethyl)propanamide
CID 103977089
N-(1-piperidin-4-ylethyl)cyclooctanecarboxamide
CID 65018639
N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 103977188
N-(1-piperidin-3-ylethyl)cyclopentanecarboxamide
CID 43523140
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
N-[(3S)-piperidin-3-yl]piperidine-1-carboxamide
CID 104982501

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide?
The IUPAC name of N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide (CID 113360894) is N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide.
What is the SMILES notation for N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide?
The canonical SMILES for N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide is CC(NC(=O)N1CCCCCC1)C1CCNC1.
What is the InChIKey of N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide?
The InChIKey is QFJIGYUWMIVHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(12-6-7-14-10-12)15-13(17)16-8-4-2-3-5-9-16/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide?
N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide is sourced from PubChem (CID 113360894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).