2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride

C17H25ClN4O2 — CID 119906002

IUPAC2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCCNCC1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C17H24N4O2.ClH/c22-16(13-20-10-4-8-18-9-12-20)19-14-5-1-2-6-15(14)21-11-3-7-17(21)23;/h1-2,5-6,18H,3-4,7-13H2,(H,19,22);1H
InChIKeyAXCHNFMEXODTKT-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.47
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride

2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride (PubChem CID 119906002) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
PubChem CID119906002
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCCNCC1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C17H24N4O2.ClH/c22-16(13-20-10-4-8-18-9-12-20)19-14-5-1-2-6-15(14)21-11-3-7-17(21)23;/h1-2,5-6,18H,3-4,7-13H2,(H,19,22);1H
InChIKeyAXCHNFMEXODTKT-UHFFFAOYSA-N
XLogP1.47
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride 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

2-(4-hydroxypiperidin-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41335965
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 42541856
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide
CID 62837195
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46672115
2-(9-oxoacridin-10-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 16583770
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-pyrazol-1-ylacetamide
CID 39724891
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
CID 119906439
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 136523186
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 120757093

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride (CID 119906002) is 2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride is Cl.O=C(CN1CCCNCC1)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride?
The InChIKey is AXCHNFMEXODTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c22-16(13-20-10-4-8-18-9-12-20)19-14-5-1-2-6-15(14)21-11-3-7-17(21)23;/h1-2,5-6,18H,3-4,7-13H2,(H,19,22);1H.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride?
2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119906002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).