N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

C23H28N2O2 — CID 51730216

IUPACN-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C1
InChIInChI=1S/C23H28N2O2/c1-17-13-18(2)16-25(15-17)23(27)21(14-19-9-5-3-6-10-19)24-22(26)20-11-7-4-8-12-20/h3-12,17-18,21H,13-16H2,1-2H3,(H,24,26)/t17-,18+,21-/m0/s1
InChIKeyQHIWXOMSBLSURV-UEXGIBASSA-N
MW364.49 g/mol
LogP3.53
Rot. Bonds5

About N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 51730216) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID51730216
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C1
InChIInChI=1S/C23H28N2O2/c1-17-13-18(2)16-25(15-17)23(27)21(14-19-9-5-3-6-10-19)24-22(26)20-11-7-4-8-12-20/h3-12,17-18,21H,13-16H2,1-2H3,(H,24,26)/t17-,18+,21-/m0/s1
InChIKeyQHIWXOMSBLSURV-UEXGIBASSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119576791
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 166217047
2-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid
CID 4869509
4-chloro-N-[(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 98773849
4-chloro-N-[(2R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51863777
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119488269
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119635458
N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55564516
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119635457
1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256449
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119578681

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 51730216) is N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is C[C@@H]1C[C@H](C)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C1.
What is the InChIKey of N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is QHIWXOMSBLSURV-UEXGIBASSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-13-18(2)16-25(15-17)23(27)21(14-19-9-5-3-6-10-19)24-22(26)20-11-7-4-8-12-20/h3-12,17-18,21H,13-16H2,1-2H3,(H,24,26)/t17-,18+,21-/m0/s1.
What are the key properties of N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 51730216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).