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

C27H29N3O3 — CID 38574785

IUPACN-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCOc1cccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C27H29N3O3/c1-33-24-14-8-13-23(20-24)29-15-17-30(18-16-29)27(32)25(19-21-9-4-2-5-10-21)28-26(31)22-11-6-3-7-12-22/h2-14,20,25H,15-19H2,1H3,(H,28,31)/t25-/m0/s1
InChIKeySYLOGWMDROMCTN-VWLOTQADSA-N
MW443.55 g/mol
LogP3.39
Rot. Bonds7

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

N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 38574785) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID38574785
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCOc1cccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C27H29N3O3/c1-33-24-14-8-13-23(20-24)29-15-17-30(18-16-29)27(32)25(19-21-9-4-2-5-10-21)28-26(31)22-11-6-3-7-12-22/h2-14,20,25H,15-19H2,1H3,(H,28,31)/t25-/m0/s1
InChIKeySYLOGWMDROMCTN-VWLOTQADSA-N
XLogP3.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46524297
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55447451
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 42904601
N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-3-methoxybenzamide
CID 6723842
N-[1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55918145
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46559911
N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 22599915
4-fluoro-N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9268556
5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 93140685
4-chloro-N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112763066

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 38574785) is N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is COc1cccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is SYLOGWMDROMCTN-VWLOTQADSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-33-24-14-8-13-23(20-24)29-15-17-30(18-16-29)27(32)25(19-21-9-4-2-5-10-21)28-26(31)22-11-6-3-7-12-22/h2-14,20,25H,15-19H2,1H3,(H,28,31)/t25-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 38574785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).