(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

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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).