N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide

C17H18ClN3O — CID 858193

IUPACN-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18ClN3O/c18-14-5-4-6-15(13-14)19-17(22)21-11-9-20(10-12-21)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,22)
InChIKeyZLBXUONOZMWQLS-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.69
Rot. Bonds2

About N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide

N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide (PubChem CID 858193) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide
PubChem CID858193
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18ClN3O/c18-14-5-4-6-15(13-14)19-17(22)21-11-9-20(10-12-21)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,22)
InChIKeyZLBXUONOZMWQLS-UHFFFAOYSA-N
XLogP3.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide (CID 858193) is N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is ZLBXUONOZMWQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-14-5-4-6-15(13-14)19-17(22)21-11-9-20(10-12-21)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,22).
What are the key properties of N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide?
N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 858193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).