[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

C16H22N2O2 — CID 136580768

IUPAC[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C16H22N2O2/c19-16(15-4-2-10-20-15)18-8-5-13(6-9-18)11-14-3-1-7-17-12-14/h1,3,7,12-13,15H,2,4-6,8-11H2/t15-/m0/s1
InChIKeyKYHYWTGLQGYDED-HNNXBMFYSA-N
MW274.36 g/mol
LogP2.04
Rot. Bonds3

About [(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 136580768) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID136580768
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C16H22N2O2/c19-16(15-4-2-10-20-15)18-8-5-13(6-9-18)11-14-3-1-7-17-12-14/h1,3,7,12-13,15H,2,4-6,8-11H2/t15-/m0/s1
InChIKeyKYHYWTGLQGYDED-HNNXBMFYSA-N
XLogP2.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 119068773
oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 47024168
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519981
[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 124803616
N-ethyl-4-(oxolane-2-carbonyl)-N'-(2-pyridin-3-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111302930
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[4-(2-aminoethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154909016
(4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 126428390
(5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97473214

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 136580768) is [(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is O=C([C@@H]1CCCO1)N1CCC(Cc2cccnc2)CC1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is KYHYWTGLQGYDED-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(15-4-2-10-20-15)18-8-5-13(6-9-18)11-14-3-1-7-17-12-14/h1,3,7,12-13,15H,2,4-6,8-11H2/t15-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 136580768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).