1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride

C15H28ClN3O2 — CID 119270408

IUPAC1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCCN2CCCCCC2=O)CCCC1
InChIInChI=1S/C15H27N3O2.ClH/c16-15(8-3-4-9-15)14(20)17-10-6-12-18-11-5-1-2-7-13(18)19;/h1-12,16H2,(H,17,20);1H
InChIKeyHLIHJZSEERSZRI-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.59
Rot. Bonds5

About 1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119270408) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119270408
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCCN2CCCCCC2=O)CCCC1
InChIInChI=1S/C15H27N3O2.ClH/c16-15(8-3-4-9-15)14(20)17-10-6-12-18-11-5-1-2-7-13(18)19;/h1-12,16H2,(H,17,20);1H
InChIKeyHLIHJZSEERSZRI-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
3-(1-hydroxycyclohexyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-ynamide
CID 134852898
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528
1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119851215
1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide
CID 119687909
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide
CID 91908924
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
CID 81171639

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride (CID 119270408) is 1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCCCN2CCCCCC2=O)CCCC1.
What is the InChIKey of 1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is HLIHJZSEERSZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c16-15(8-3-4-9-15)14(20)17-10-6-12-18-11-5-1-2-7-13(18)19;/h1-12,16H2,(H,17,20);1H.
What are the key properties of 1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119270408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).