3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one

C10H17NO2 — CID 130643681

IUPAC3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one
SMILESC[C@H]1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C10H17NO2/c1-8-3-2-5-11(7-8)9-4-6-13-10(9)12/h8-9H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeySNRDDJNBCUQSGT-IENPIDJESA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds1

About 3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one

3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one (PubChem CID 130643681) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one
PubChem CID130643681
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one
SMILESC[C@H]1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C10H17NO2/c1-8-3-2-5-11(7-8)9-4-6-13-10(9)12/h8-9H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeySNRDDJNBCUQSGT-IENPIDJESA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one
CID 79992576
3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one
CID 114508850
3-(3-aminoazetidin-1-yl)oxolan-2-one
CID 65250013
methyl 1-(2-oxooxolan-3-yl)pyrrolidine-3-carboxylate
CID 112731457
(3S)-3-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]oxolan-2-one
CID 129425528
(3S)-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]oxolan-2-one
CID 98761633
(7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one
CID 90153359
3-[2-(1-aminoethyl)morpholin-4-yl]oxolan-2-one
CID 115315441
3-(3-methylpiperidin-1-yl)piperidine-2,6-dione
CID 170639071
(3R)-3-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]oxolan-2-one
CID 95286671
3-[4-(1-aminoethyl)piperidin-1-yl]oxolan-2-one
CID 63597112
(3R)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one
CID 37080644

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one (CID 130643681) is 3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one is C[C@H]1CCCN(C2CCOC2=O)C1.
What is the InChIKey of 3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one?
The InChIKey is SNRDDJNBCUQSGT-IENPIDJESA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-3-2-5-11(7-8)9-4-6-13-10(9)12/h8-9H,2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of 3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one?
3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one is sourced from PubChem (CID 130643681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).