N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide

C18H18ClN3O2 — CID 701191

IUPACN-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C18H18ClN3O2/c19-15-7-4-8-16(13-15)21-9-11-22(12-10-21)18(24)20-17(23)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,23,24)
InChIKeyIQRITPAWHCVXDM-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.01
Rot. Bonds2

About N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide

N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide (PubChem CID 701191) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide
PubChem CID701191
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C18H18ClN3O2/c19-15-7-4-8-16(13-15)21-9-11-22(12-10-21)18(24)20-17(23)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,23,24)
InChIKeyIQRITPAWHCVXDM-UHFFFAOYSA-N
XLogP3.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fominoben
CID 3407
Halopemide
CID 65490
1-(4-Chlorophenyl)-3-(4-(morpholine-4-carbonyl)phenyl)urea
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Pencycuron-ketone
CID 139595074
1-(3-Chlorophenyl)-4-(3,4-dimethylbenzoyl)piperazine
CID 788974
N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
CID 14162480
4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428850
2-Chloro-N-(2-(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105712
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-trans-but-2-enyl)-4-(6-oxo-1,6-dihydropyridin-2-yl)benzamide
CID 44427820
4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 4150876

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide (CID 701191) is N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide is O=C(NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is IQRITPAWHCVXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-15-7-4-8-16(13-15)21-9-11-22(12-10-21)18(24)20-17(23)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,23,24).
What are the key properties of N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide?
N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-4-(3-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 701191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).