N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide

C14H23N3O3 — CID 62045557

IUPACN-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide
SMILESO=C1CCN(C(=O)CCNC(=O)C2CCCC2)CCN1
InChIInChI=1S/C14H23N3O3/c18-12-6-9-17(10-8-15-12)13(19)5-7-16-14(20)11-3-1-2-4-11/h11H,1-10H2,(H,15,18)(H,16,20)
InChIKeyMBCZSLKTVZOCMH-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.03
Rot. Bonds4

About N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide

N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide (PubChem CID 62045557) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide
PubChem CID62045557
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide
SMILESO=C1CCN(C(=O)CCNC(=O)C2CCCC2)CCN1
InChIInChI=1S/C14H23N3O3/c18-12-6-9-17(10-8-15-12)13(19)5-7-16-14(20)11-3-1-2-4-11/h11H,1-10H2,(H,15,18)(H,16,20)
InChIKeyMBCZSLKTVZOCMH-UHFFFAOYSA-N
XLogP0.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 112728746
1-[3-(oxan-2-yl)propanoyl]-1,4-diazepan-5-one
CID 63938684
N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide
CID 62046066
N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
CID 119310932
1-[3-(4-aminocyclohexyl)propanoyl]-1,4-diazepan-5-one
CID 63002982
1-(2-methoxyacetyl)-4-oxo-N-(2-phenylethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199999
N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-2-carboxamide
CID 61249088
N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride
CID 119260097
N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide
CID 62898102
N-(3-morpholin-4-yl-3-oxopropyl)piperidine-3-carboxamide
CID 115597288
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one
CID 62045065

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide (CID 62045557) is N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide is O=C1CCN(C(=O)CCNC(=O)C2CCCC2)CCN1.
What is the InChIKey of N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide?
The InChIKey is MBCZSLKTVZOCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-12-6-9-17(10-8-15-12)13(19)5-7-16-14(20)11-3-1-2-4-11/h11H,1-10H2,(H,15,18)(H,16,20).
What are the key properties of N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide?
N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 62045557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).