N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

C27H29N3O2 — CID 46524297

IUPACN-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cccc(N2CCN(C(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C27H29N3O2/c1-21-9-8-14-24(19-21)29-15-17-30(18-16-29)27(32)25(20-22-10-4-2-5-11-22)28-26(31)23-12-6-3-7-13-23/h2-14,19,25H,15-18,20H2,1H3,(H,28,31)
InChIKeyGOJHXBXGOCLCEB-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.68
Rot. Bonds6

About N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 46524297) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID46524297
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cccc(N2CCN(C(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C27H29N3O2/c1-21-9-8-14-24(19-21)29-15-17-30(18-16-29)27(32)25(20-22-10-4-2-5-11-22)28-26(31)23-12-6-3-7-13-23/h2-14,19,25H,15-18,20H2,1H3,(H,28,31)
InChIKeyGOJHXBXGOCLCEB-UHFFFAOYSA-N
XLogP3.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55447451
N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 38574785
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46559911
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134059593
4-chloro-N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112763066
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 46448815
N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55564516
[(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
CID 30475476
(4S)-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxo-4-[(4-phenylmethoxyquinoline-2-carbonyl)amino]pentanoic acid
CID 67066992
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 46524297) is N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is Cc1cccc(N2CCN(C(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is GOJHXBXGOCLCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-21-9-8-14-24(19-21)29-15-17-30(18-16-29)27(32)25(20-22-10-4-2-5-11-22)28-26(31)23-12-6-3-7-13-23/h2-14,19,25H,15-18,20H2,1H3,(H,28,31).
What are the key properties of N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 46524297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).