[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone

C20H23N3O — CID 95583542

IUPAC[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(c2ccccn2)C1)N1CC[C@@H]1c1ccccc1
InChIInChI=1S/C20H23N3O/c24-20(23-14-11-18(23)16-7-2-1-3-8-16)17-9-6-13-22(15-17)19-10-4-5-12-21-19/h1-5,7-8,10,12,17-18H,6,9,11,13-15H2/t17-,18+/m0/s1
InChIKeyOTXQMEFLURICLZ-ZWKOTPCHSA-N
MW321.42 g/mol
LogP3.27
Rot. Bonds3

About [(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone

[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone (PubChem CID 95583542) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is [(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
PubChem CID95583542
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(c2ccccn2)C1)N1CC[C@@H]1c1ccccc1
InChIInChI=1S/C20H23N3O/c24-20(23-14-11-18(23)16-7-2-1-3-8-16)17-9-6-13-22(15-17)19-10-4-5-12-21-19/h1-5,7-8,10,12,17-18H,6,9,11,13-15H2/t17-,18+/m0/s1
InChIKeyOTXQMEFLURICLZ-ZWKOTPCHSA-N
XLogP3.27
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone 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

[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95337233
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 92606124
(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 98761419
[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95149695
(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanone
CID 47884292
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 51595974
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94616580
cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682493

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone (CID 95583542) is [(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone is O=C([C@H]1CCCN(c2ccccn2)C1)N1CC[C@@H]1c1ccccc1.
What is the InChIKey of [(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone?
The InChIKey is OTXQMEFLURICLZ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(23-14-11-18(23)16-7-2-1-3-8-16)17-9-6-13-22(15-17)19-10-4-5-12-21-19/h1-5,7-8,10,12,17-18H,6,9,11,13-15H2/t17-,18+/m0/s1.
What are the key properties of [(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone?
[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone has a molecular weight of 321.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 95583542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).