4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide

C16H22ClN3O2 — CID 24715930

IUPAC4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2cc(Cl)ccc2C)C(=O)C1C
InChIInChI=1S/C16H22ClN3O2/c1-4-7-18-16(22)19-8-9-20(15(21)12(19)3)14-10-13(17)6-5-11(14)2/h5-6,10,12H,4,7-9H2,1-3H3,(H,18,22)
InChIKeyBWBUVRUOOCXSAH-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.81
Rot. Bonds3

About 4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide

4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide (PubChem CID 24715930) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
PubChem CID24715930
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2cc(Cl)ccc2C)C(=O)C1C
InChIInChI=1S/C16H22ClN3O2/c1-4-7-18-16(22)19-8-9-20(15(21)12(19)3)14-10-13(17)6-5-11(14)2/h5-6,10,12H,4,7-9H2,1-3H3,(H,18,22)
InChIKeyBWBUVRUOOCXSAH-UHFFFAOYSA-N
XLogP2.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-5-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847448
4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847459
(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 93322045
(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 93322917
(3S)-1-(5-chloro-2-methylphenyl)-4-(3,3-dimethylbutanoyl)-3-methylpiperazin-2-one
CID 93292612
(3R)-1-(5-chloro-2-methylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93322209
1-(5-chloro-2-methylphenyl)-4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-2-one
CID 46036357
2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 24716488
4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 24716399
4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one
CID 46036394
(2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93114804
(3S)-1-(4-chloro-2-methylphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93323347

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide (CID 24715930) is 4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2cc(Cl)ccc2C)C(=O)C1C.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide?
The InChIKey is BWBUVRUOOCXSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-4-7-18-16(22)19-8-9-20(15(21)12(19)3)14-10-13(17)6-5-11(14)2/h5-6,10,12H,4,7-9H2,1-3H3,(H,18,22).
What are the key properties of 4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide?
4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide has a molecular weight of 323.82 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 24715930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).