N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide

C19H22ClN3O — CID 46100821

IUPACN-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
SMILESCC(c1ccccc1)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-15(16-5-3-2-4-6-16)22-11-13-23(14-12-22)19(24)21-18-9-7-17(20)8-10-18/h2-10,15H,11-14H2,1H3,(H,21,24)
InChIKeyWQFJNIUHSTUVGE-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.25
Rot. Bonds3

About N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide (PubChem CID 46100821) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
PubChem CID46100821
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
SMILESCC(c1ccccc1)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-15(16-5-3-2-4-6-16)22-11-13-23(14-12-22)19(24)21-18-9-7-17(20)8-10-18/h2-10,15H,11-14H2,1H3,(H,21,24)
InChIKeyWQFJNIUHSTUVGE-UHFFFAOYSA-N
XLogP4.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide
CID 92757467
N-[4-(cyanomethyl)phenyl]-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide
CID 92757626
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110884355
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519709
2-chloro-4-[[4-(1-phenylethyl)piperazine-1-carbothioyl]amino]benzoic acid
CID 177332577
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone
CID 2050848
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704753

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide (CID 46100821) is N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide is CC(c1ccccc1)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide?
The InChIKey is WQFJNIUHSTUVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-15(16-5-3-2-4-6-16)22-11-13-23(14-12-22)19(24)21-18-9-7-17(20)8-10-18/h2-10,15H,11-14H2,1H3,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 46100821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).