N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide

C20H23N3O2 — CID 119400548

IUPACN-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(17-9-5-2-6-10-17)22-18(15-16-7-3-1-4-8-16)20(25)23-13-11-21-12-14-23/h1-10,18,21H,11-15H2,(H,22,24)
InChIKeyBSCIIEUGQGMWGM-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.46
Rot. Bonds5

About N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide

N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide (PubChem CID 119400548) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
PubChem CID119400548
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(17-9-5-2-6-10-17)22-18(15-16-7-3-1-4-8-16)20(25)23-13-11-21-12-14-23/h1-10,18,21H,11-15H2,(H,22,24)
InChIKeyBSCIIEUGQGMWGM-UHFFFAOYSA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-nitro-N-[(2S)-1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl]benzamide
CID 11406430
N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119576791
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl]carbamate
CID 14308226
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119635458
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119635457
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119578681
3-phenyl-1-piperazin-1-yl-2-sulfanylpropan-1-one
CID 82511771
N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55564516
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46512979
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide?
The IUPAC name of N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide (CID 119400548) is N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide is O=C(NC(Cc1ccccc1)C(=O)N1CCNCC1)c1ccccc1.
What is the InChIKey of N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide?
The InChIKey is BSCIIEUGQGMWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(17-9-5-2-6-10-17)22-18(15-16-7-3-1-4-8-16)20(25)23-13-11-21-12-14-23/h1-10,18,21H,11-15H2,(H,22,24).
What are the key properties of N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide?
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide has a molecular weight of 337.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 119400548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).