2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide

C15H23ClN4O — CID 119902706

IUPAC2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide
SMILESNCC(=O)NCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C15H23ClN4O/c16-13-4-1-2-5-14(13)20-10-8-19(9-11-20)7-3-6-18-15(21)12-17/h1-2,4-5H,3,6-12,17H2,(H,18,21)
InChIKeySNDSGWQRNDFLCN-UHFFFAOYSA-N
MW310.83 g/mol
LogP0.93
Rot. Bonds6

About 2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide

2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide (PubChem CID 119902706) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide
PubChem CID119902706
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide
SMILESNCC(=O)NCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C15H23ClN4O/c16-13-4-1-2-5-14(13)20-10-8-19(9-11-20)7-3-6-18-15(21)12-17/h1-2,4-5H,3,6-12,17H2,(H,18,21)
InChIKeySNDSGWQRNDFLCN-UHFFFAOYSA-N
XLogP0.93
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 60589309
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
CID 111082413
N'-(2-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390070
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111082428
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 112708220
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 26569605
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride
CID 90664598
N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide
CID 112764661
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389939
N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide
CID 42390241

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide (CID 119902706) is 2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide is NCC(=O)NCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide?
The InChIKey is SNDSGWQRNDFLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c16-13-4-1-2-5-14(13)20-10-8-19(9-11-20)7-3-6-18-15(21)12-17/h1-2,4-5H,3,6-12,17H2,(H,18,21).
What are the key properties of 2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide?
2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide has a molecular weight of 310.83 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 119902706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).