2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide

C17H20ClN3O3 — CID 95783354

IUPAC2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1=O
InChIInChI=1S/C17H20ClN3O3/c1-19-15(22)9-20-6-7-21(10-16(20)23)17(24)13-8-12(13)11-4-2-3-5-14(11)18/h2-5,12-13H,6-10H2,1H3,(H,19,22)/t12-,13+/m0/s1
InChIKeyRNJHVRPLQKHXCK-QWHCGFSZSA-N
MW349.82 g/mol
LogP0.86
Rot. Bonds4

About 2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide

2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide (PubChem CID 95783354) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide
PubChem CID95783354
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1=O
InChIInChI=1S/C17H20ClN3O3/c1-19-15(22)9-20-6-7-21(10-16(20)23)17(24)13-8-12(13)11-4-2-3-5-14(11)18/h2-5,12-13H,6-10H2,1H3,(H,19,22)/t12-,13+/m0/s1
InChIKeyRNJHVRPLQKHXCK-QWHCGFSZSA-N
XLogP0.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide 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-[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide
CID 95783352
2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide
CID 51333103
2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51295287
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51291775
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 55586130
[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone
CID 55550947
[2-(2-chlorophenyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51291684
1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one
CID 56754721
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide (CID 95783354) is 2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1=O.
What is the InChIKey of 2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide?
The InChIKey is RNJHVRPLQKHXCK-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-19-15(22)9-20-6-7-21(10-16(20)23)17(24)13-8-12(13)11-4-2-3-5-14(11)18/h2-5,12-13H,6-10H2,1H3,(H,19,22)/t12-,13+/m0/s1.
What are the key properties of 2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide?
2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide has a molecular weight of 349.82 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 95783354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).