4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide

C21H25N3O3 — CID 167594860

IUPAC4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide
SMILESO=C(CO)CNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c25-16-19(26)15-22-21(27)24-13-11-23(12-14-24)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20,25H,11-16H2,(H,22,27)
InChIKeyIXPBIUFXHIYNLO-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.66
Rot. Bonds6

About 4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide

4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide (PubChem CID 167594860) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide
PubChem CID167594860
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide
SMILESO=C(CO)CNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c25-16-19(26)15-22-21(27)24-13-11-23(12-14-24)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20,25H,11-16H2,(H,22,27)
InChIKeyIXPBIUFXHIYNLO-UHFFFAOYSA-N
XLogP1.66
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 86912557
N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92767870
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072
4-benzhydryl-N-[2-(4-bromophenyl)ethyl]piperazine-1-carboxamide
CID 108902253
N-[(4-chlorophenyl)methyl]-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768403
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381
4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide
CID 108914590
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide (CID 167594860) is 4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide is O=C(CO)CNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide?
The InChIKey is IXPBIUFXHIYNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-16-19(26)15-22-21(27)24-13-11-23(12-14-24)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20,25H,11-16H2,(H,22,27).
What are the key properties of 4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide?
4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide is sourced from PubChem (CID 167594860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).