2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

C19H24ClN3O3 — CID 55521589

IUPAC2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C19H24ClN3O3/c1-13(2)21-16(24)17(25)22-9-11-23(12-10-22)18(26)19(7-8-19)14-3-5-15(20)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,21,24)
InChIKeyPBWSMFDABAKSTE-UHFFFAOYSA-N
MW377.87 g/mol
LogP1.57
Rot. Bonds3

About 2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 55521589) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID55521589
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C19H24ClN3O3/c1-13(2)21-16(24)17(25)22-9-11-23(12-10-22)18(26)19(7-8-19)14-3-5-15(20)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,21,24)
InChIKeyPBWSMFDABAKSTE-UHFFFAOYSA-N
XLogP1.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 27742660
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251424
[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31564704
[1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874970
(5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone
CID 55716635
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-ethyl-1,4-diazepan-5-one
CID 26274840
[1-(4-chlorophenyl)cyclopropyl]-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 126778055

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (CID 55521589) is 2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is PBWSMFDABAKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-13(2)21-16(24)17(25)22-9-11-23(12-10-22)18(26)19(7-8-19)14-3-5-15(20)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 377.87 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 55521589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).