2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide

C14H25N3O2 — CID 8895713

IUPAC2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CN1CCCCCC1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H25N3O2/c18-13(11-17-9-5-1-2-6-10-17)16-14(19)15-12-7-3-4-8-12/h12H,1-11H2,(H2,15,16,18,19)
InChIKeyNLYCBEZOGAZGNL-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.63
Rot. Bonds3

About 2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide

2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 8895713) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
PubChem CID8895713
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CN1CCCCCC1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H25N3O2/c18-13(11-17-9-5-1-2-6-10-17)16-14(19)15-12-7-3-4-8-12/h12H,1-11H2,(H2,15,16,18,19)
InChIKeyNLYCBEZOGAZGNL-UHFFFAOYSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860953
2-(4-aminopiperidin-1-yl)-N-(cyclohexylcarbamoyl)acetamide
CID 43556566
N-(cyclohexylcarbamoyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655086
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 16599138
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
2-[(3R)-3-aminopiperidin-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 102977459
N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905800
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162505
N-(cyclohexylcarbamoyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872768
tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 34196633
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
CID 119925750
N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119917165

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide (CID 8895713) is 2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide is O=C(CN1CCCCCC1)NC(=O)NC1CCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is NLYCBEZOGAZGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c18-13(11-17-9-5-1-2-6-10-17)16-14(19)15-12-7-3-4-8-12/h12H,1-11H2,(H2,15,16,18,19).
What are the key properties of 2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide?
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 8895713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).