[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone

C19H22N2O — CID 26392215

IUPAC[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@H](CCc2ccccc2)C1
InChIInChI=1S/C19H22N2O/c22-19(18-9-4-12-20-14-18)21-13-5-8-17(15-21)11-10-16-6-2-1-3-7-16/h1-4,6-7,9,12,14,17H,5,8,10-11,13,15H2/t17-/m1/s1
InChIKeyQIKUUMUFFJPYSC-QGZVFWFLSA-N
MW294.40 g/mol
LogP3.57
Rot. Bonds4

About [(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone

[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 26392215) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is [(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID26392215
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@H](CCc2ccccc2)C1
InChIInChI=1S/C19H22N2O/c22-19(18-9-4-12-20-14-18)21-13-5-8-17(15-21)11-10-16-6-2-1-3-7-16/h1-4,6-7,9,12,14,17H,5,8,10-11,13,15H2/t17-/m1/s1
InChIKeyQIKUUMUFFJPYSC-QGZVFWFLSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 25459016
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
[(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95838117
[3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110267556
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
1-(4-methylpiperazin-1-yl)-3-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one
CID 25297126
1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one
CID 45210346
[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
[3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95555128
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 26392215) is [(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC[C@H](CCc2ccccc2)C1.
What is the InChIKey of [(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is QIKUUMUFFJPYSC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(18-9-4-12-20-14-18)21-13-5-8-17(15-21)11-10-16-6-2-1-3-7-16/h1-4,6-7,9,12,14,17H,5,8,10-11,13,15H2/t17-/m1/s1.
What are the key properties of [(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone?
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 294.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 26392215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).