1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone

C19H22N2O — CID 95825281

IUPAC1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2cncc(-c3ccccc3)c2)C1
InChIInChI=1S/C19H22N2O/c1-15(22)21-9-5-6-16(14-21)10-17-11-19(13-20-12-17)18-7-3-2-4-8-18/h2-4,7-8,11-13,16H,5-6,9-10,14H2,1H3/t16-/m0/s1
InChIKeyDXYWXSVGJQWDTR-INIZCTEOSA-N
MW294.40 g/mol
LogP3.55
Rot. Bonds3

About 1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone

1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone (PubChem CID 95825281) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
PubChem CID95825281
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2cncc(-c3ccccc3)c2)C1
InChIInChI=1S/C19H22N2O/c1-15(22)21-9-5-6-16(14-21)10-17-11-19(13-20-12-17)18-7-3-2-4-8-18/h2-4,7-8,11-13,16H,5-6,9-10,14H2,1H3/t16-/m0/s1
InChIKeyDXYWXSVGJQWDTR-INIZCTEOSA-N
XLogP3.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816
1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846939
1-[(3R)-3-[[5-(propan-2-ylamino)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846503
1-[3-[(6-pyridin-3-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110257442
1-[4-[(5-bromo-3-pyridinyl)methyl]azepan-1-yl]ethanone
CID 66509839
1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide
CID 124964784
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 95804599
6-[(1-acetylpiperidin-3-yl)methyl]pyridazine-3-carboxylic acid
CID 110246143
2-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyrazin-2-yl]-4-fluorobenzoic acid
CID 125020327

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone (CID 95825281) is 1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](Cc2cncc(-c3ccccc3)c2)C1.
What is the InChIKey of 1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is DXYWXSVGJQWDTR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15(22)21-9-5-6-16(14-21)10-17-11-19(13-20-12-17)18-7-3-2-4-8-18/h2-4,7-8,11-13,16H,5-6,9-10,14H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 294.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95825281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).