[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C22H28N2O3 — CID 125177029

IUPAC[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H28N2O3/c25-21(23-12-8-18(9-13-23)17-5-2-1-3-6-17)19-10-14-24(15-11-19)22(26)20-7-4-16-27-20/h1-3,5-6,8,19-20H,4,7,9-16H2/t20-/m1/s1
InChIKeyMOZPEDAUPDDMNY-HXUWFJFHSA-N
MW368.48 g/mol
LogP2.72
Rot. Bonds3

About [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 125177029) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID125177029
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H28N2O3/c25-21(23-12-8-18(9-13-23)17-5-2-1-3-6-17)19-10-14-24(15-11-19)22(26)20-7-4-16-27-20/h1-3,5-6,8,19-20H,4,7,9-16H2/t20-/m1/s1
InChIKeyMOZPEDAUPDDMNY-HXUWFJFHSA-N
XLogP2.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone with MolForge

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Related Compounds

(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
CID 71977470
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877456
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125
[(2S)-oxolan-2-yl]-(4-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
CID 124788089
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
(3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
CID 143163887
trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 86598266
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-2-ylmethanone
CID 60715502
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61163331

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 125177029) is [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is MOZPEDAUPDDMNY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-21(23-12-8-18(9-13-23)17-5-2-1-3-6-17)19-10-14-24(15-11-19)22(26)20-7-4-16-27-20/h1-3,5-6,8,19-20H,4,7,9-16H2/t20-/m1/s1.
What are the key properties of [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 125177029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).