4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide

C16H25ClN4O — CID 22107953

IUPAC4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
SMILESCN(C)CCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H25ClN4O/c1-19(2)8-4-7-18-16(22)21-11-9-20(10-12-21)15-6-3-5-14(17)13-15/h3,5-6,13H,4,7-12H2,1-2H3,(H,18,22)
InChIKeyBHFLDIRJGZVQTE-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.12
Rot. Bonds5

About 4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide (PubChem CID 22107953) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
PubChem CID22107953
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
SMILESCN(C)CCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H25ClN4O/c1-19(2)8-4-7-18-16(22)21-11-9-20(10-12-21)15-6-3-5-14(17)13-15/h3,5-6,13H,4,7-12H2,1-2H3,(H,18,22)
InChIKeyBHFLDIRJGZVQTE-UHFFFAOYSA-N
XLogP2.12
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113106335
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106366
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 22163785
4-(3-chlorophenyl)-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973655
N-[2-(3-chlorophenyl)ethyl]-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105682
4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide
CID 108875035
4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide
CID 27535774
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide (CID 22107953) is 4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide is CN(C)CCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The InChIKey is BHFLDIRJGZVQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O/c1-19(2)8-4-7-18-16(22)21-11-9-20(10-12-21)15-6-3-5-14(17)13-15/h3,5-6,13H,4,7-12H2,1-2H3,(H,18,22).
What are the key properties of 4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide has a molecular weight of 324.86 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 22107953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).