(6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one

C23H29NO2 — CID 16658207

IUPAC(6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)CCC[C@H]1CCCOCc1ccccc1
InChIInChI=1S/C23H29NO2/c1-19(21-12-6-3-7-13-21)24-22(14-8-16-23(24)25)15-9-17-26-18-20-10-4-2-5-11-20/h2-7,10-13,19,22H,8-9,14-18H2,1H3/t19-,22-/m0/s1
InChIKeyYNDZHXWNOIDUHX-UGKGYDQZSA-N
MW351.49 g/mol
LogP5.13
Rot. Bonds8

About (6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one

(6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one (PubChem CID 16658207) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one.

Molecular Properties

Compound Name(6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one
PubChem CID16658207
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)CCC[C@H]1CCCOCc1ccccc1
InChIInChI=1S/C23H29NO2/c1-19(21-12-6-3-7-13-21)24-22(14-8-16-23(24)25)15-9-17-26-18-20-10-4-2-5-11-20/h2-7,10-13,19,22H,8-9,14-18H2,1H3/t19-,22-/m0/s1
InChIKeyYNDZHXWNOIDUHX-UGKGYDQZSA-N
XLogP5.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one
CID 11402324
methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate
CID 70631589
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine
CID 11667246
(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine
CID 10869250
(2R)-1-(4-methylphenyl)sulfonyl-2-(3-phenylmethoxypropyl)piperidine
CID 134838395
(5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one
CID 10923310
3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
2-(2-phenylmethoxyethyl)cyclohexan-1-one
CID 561952
(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one
CID 118421052
(5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid
CID 68631273
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353

Frequently Asked Questions

What is the IUPAC name of (6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one?
The IUPAC name of (6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one (CID 16658207) is (6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one.
What is the SMILES notation for (6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one?
The canonical SMILES for (6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one is C[C@@H](c1ccccc1)N1C(=O)CCC[C@H]1CCCOCc1ccccc1.
What is the InChIKey of (6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one?
The InChIKey is YNDZHXWNOIDUHX-UGKGYDQZSA-N. The full InChI is InChI=1S/C23H29NO2/c1-19(21-12-6-3-7-13-21)24-22(14-8-16-23(24)25)15-9-17-26-18-20-10-4-2-5-11-20/h2-7,10-13,19,22H,8-9,14-18H2,1H3/t19-,22-/m0/s1.
What are the key properties of (6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one?
(6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one has a molecular weight of 351.49 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one is sourced from PubChem (CID 16658207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).