4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide

C16H24ClN3O — CID 110413921

IUPAC4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-18(2)16(21)20-11-9-19(10-12-20)8-4-6-14-5-3-7-15(17)13-14/h3,5,7,13H,4,6,8-12H2,1-2H3
InChIKeyVKLKHYNYVQGZTE-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.57
Rot. Bonds4

About 4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide

4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 110413921) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID110413921
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-18(2)16(21)20-11-9-19(10-12-20)8-4-6-14-5-3-7-15(17)13-14/h3,5,7,13H,4,6,8-12H2,1-2H3
InChIKeyVKLKHYNYVQGZTE-UHFFFAOYSA-N
XLogP2.57
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110413923
4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid
CID 69457440
4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413646
4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358322
N-[2-(3-chlorophenyl)ethyl]-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105682
4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110608445
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 134120763
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 113075180
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119064353

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide (CID 110413921) is 4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(CCCc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is VKLKHYNYVQGZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-18(2)16(21)20-11-9-19(10-12-20)8-4-6-14-5-3-7-15(17)13-14/h3,5,7,13H,4,6,8-12H2,1-2H3.
What are the key properties of 4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 110413921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).