4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide

C15H20ClN3O2 — CID 42847459

IUPAC4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccccc2Cl)C(=O)C1C
InChIInChI=1S/C15H20ClN3O2/c1-3-8-17-15(21)18-9-10-19(14(20)11(18)2)13-7-5-4-6-12(13)16/h4-7,11H,3,8-10H2,1-2H3,(H,17,21)
InChIKeyWYVJOJZWYGLPOA-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.50
Rot. Bonds3

About 4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide

4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide (PubChem CID 42847459) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
PubChem CID42847459
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccccc2Cl)C(=O)C1C
InChIInChI=1S/C15H20ClN3O2/c1-3-8-17-15(21)18-9-10-19(14(20)11(18)2)13-7-5-4-6-12(13)16/h4-7,11H,3,8-10H2,1-2H3,(H,17,21)
InChIKeyWYVJOJZWYGLPOA-UHFFFAOYSA-N
XLogP2.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 24716736
4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 24715930
2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 24716488
4-(2-fluoro-5-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847448
1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036234
(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 93322045
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one
CID 24716325
4-(1,3-benzodioxole-5-carbonyl)-1-(2-chlorophenyl)-3-methylpiperazin-2-one
CID 46036244
(3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 93290812
(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 93290815
4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 24716603

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide (CID 42847459) is 4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2ccccc2Cl)C(=O)C1C.
What is the InChIKey of 4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide?
The InChIKey is WYVJOJZWYGLPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-3-8-17-15(21)18-9-10-19(14(20)11(18)2)13-7-5-4-6-12(13)16/h4-7,11H,3,8-10H2,1-2H3,(H,17,21).
What are the key properties of 4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide?
4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 42847459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).