(4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one

C17H22N2O3 — CID 100819553

IUPAC(4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one
SMILESCC1(C)OC(=O)C[C@H]1C(=O)N1CCCC[C@H]1c1ccccn1
InChIInChI=1S/C17H22N2O3/c1-17(2)12(11-15(20)22-17)16(21)19-10-6-4-8-14(19)13-7-3-5-9-18-13/h3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyKIYDVIICZYIHNT-JSGCOSHPSA-N
MW302.37 g/mol
LogP2.48
Rot. Bonds2

About (4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one

(4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one (PubChem CID 100819553) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one.

Molecular Properties

Compound Name(4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one
PubChem CID100819553
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one
SMILESCC1(C)OC(=O)C[C@H]1C(=O)N1CCCC[C@H]1c1ccccn1
InChIInChI=1S/C17H22N2O3/c1-17(2)12(11-15(20)22-17)16(21)19-10-6-4-8-14(19)13-7-3-5-9-18-13/h3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyKIYDVIICZYIHNT-JSGCOSHPSA-N
XLogP2.48
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one with MolForge

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Related Compounds

(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95871537
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 72861855
(3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 77084225
(2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 126442149
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94616580
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
3-[2-oxo-2-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 95862581
3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 70723414

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one?
The IUPAC name of (4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one (CID 100819553) is (4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one.
What is the SMILES notation for (4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one?
The canonical SMILES for (4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one is CC1(C)OC(=O)C[C@H]1C(=O)N1CCCC[C@H]1c1ccccn1.
What is the InChIKey of (4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one?
The InChIKey is KIYDVIICZYIHNT-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2)12(11-15(20)22-17)16(21)19-10-6-4-8-14(19)13-7-3-5-9-18-13/h3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one?
(4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one is sourced from PubChem (CID 100819553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).