N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide

C18H20ClN3O — CID 110301195

IUPACN-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20ClN3O/c19-16-6-4-5-15(13-16)14-20-18(23)22-11-9-21(10-12-22)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,20,23)
InChIKeyXXIGJSBUAKWCCY-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.37
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide

N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 110301195) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
PubChem CID110301195
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20ClN3O/c19-16-6-4-5-15(13-16)14-20-18(23)22-11-9-21(10-12-22)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,20,23)
InChIKeyXXIGJSBUAKWCCY-UHFFFAOYSA-N
XLogP3.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897823
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53368887
N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
CID 113106592
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35668689
4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 35651816
1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 108898738
4-(3-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 41199851

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide (CID 110301195) is N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide is O=C(NCc1cccc(Cl)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is XXIGJSBUAKWCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-6-4-5-15(13-16)14-20-18(23)22-11-9-21(10-12-22)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,20,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide?
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110301195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).