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

C24H24ClN3O — CID 108867549

IUPACN-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H24ClN3O/c25-21-12-7-13-22(18-21)27-14-16-28(17-15-27)24(29)26-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H,26,29)
InChIKeyUONYFLOCNXQQSZ-UHFFFAOYSA-N
MW405.93 g/mol
LogP4.96
Rot. Bonds4

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

N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide (PubChem CID 108867549) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
PubChem CID108867549
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC NameN-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H24ClN3O/c25-21-12-7-13-22(18-21)27-14-16-28(17-15-27)24(29)26-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H,26,29)
InChIKeyUONYFLOCNXQQSZ-UHFFFAOYSA-N
XLogP4.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpropane-1,3-dione
CID 3394778
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
CID 41355861
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
N-benzhydryl-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 21037675
4-(3-chlorophenyl)-N-(1-phenylethyl)piperazine-1-carbothioamide
CID 19654606
4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide
CID 25336780
methyl 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
CID 3957217
N-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395003
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903340
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide (CID 108867549) is N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is UONYFLOCNXQQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O/c25-21-12-7-13-22(18-21)27-14-16-28(17-15-27)24(29)26-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H,26,29).
What are the key properties of N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide?
N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 405.93 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108867549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).