3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide

C22H26N2O3 — CID 110347364

IUPAC3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26N2O3/c1-27-19-12-8-11-18(16-19)21(25)23-20(15-17-9-4-2-5-10-17)22(26)24-13-6-3-7-14-24/h2,4-5,8-12,16,20H,3,6-7,13-15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyXHWIKPUOGCCKAJ-FQEVSTJZSA-N
MW366.46 g/mol
LogP3.05
Rot. Bonds6

About 3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide

3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide (PubChem CID 110347364) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
PubChem CID110347364
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26N2O3/c1-27-19-12-8-11-18(16-19)21(25)23-20(15-17-9-4-2-5-10-17)22(26)24-13-6-3-7-14-24/h2,4-5,8-12,16,20H,3,6-7,13-15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyXHWIKPUOGCCKAJ-FQEVSTJZSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 38574785
3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride
CID 119044825
5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 93140685
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide
CID 110286403
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-2-phenoxyacetamide
CID 110347375
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide
CID 93198046
N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 22599915
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide (CID 110347364) is 3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide is COc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)c1.
What is the InChIKey of 3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide?
The InChIKey is XHWIKPUOGCCKAJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-19-12-8-11-18(16-19)21(25)23-20(15-17-9-4-2-5-10-17)22(26)24-13-6-3-7-14-24/h2,4-5,8-12,16,20H,3,6-7,13-15H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of 3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide?
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 110347364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).