3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide

C15H21ClN4O2 — CID 120770777

IUPAC3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN4O2/c1-17-15(22)19-14(21)5-7-20-8-6-18-10-13(20)11-3-2-4-12(16)9-11/h2-4,9,13,18H,5-8,10H2,1H3,(H2,17,19,21,22)
InChIKeyRZLIEWICDLLJDC-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.13
Rot. Bonds4

About 3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide

3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 120770777) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID120770777
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN4O2/c1-17-15(22)19-14(21)5-7-20-8-6-18-10-13(20)11-3-2-4-12(16)9-11/h2-4,9,13,18H,5-8,10H2,1H3,(H2,17,19,21,22)
InChIKeyRZLIEWICDLLJDC-UHFFFAOYSA-N
XLogP1.13
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120756233
N-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 120771136
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylbutanoate
CID 120846877
3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 120771094
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120771171
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120771204
2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 120770920
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 120770996

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (CID 120770777) is 3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is RZLIEWICDLLJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-17-15(22)19-14(21)5-7-20-8-6-18-10-13(20)11-3-2-4-12(16)9-11/h2-4,9,13,18H,5-8,10H2,1H3,(H2,17,19,21,22).
What are the key properties of 3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 324.81 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 120770777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).