1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone

C18H27N3O — CID 54259387

IUPAC1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CN2CCC(c3ccccn3)CC2)C1
InChIInChI=1S/C18H27N3O/c1-15(22)21-10-4-5-16(14-21)13-20-11-7-17(8-12-20)18-6-2-3-9-19-18/h2-3,6,9,16-17H,4-5,7-8,10-14H2,1H3
InChIKeyRCKDHMNAHDLOOE-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.52
Rot. Bonds3

About 1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone

1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 54259387) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID54259387
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CN2CCC(c3ccccn3)CC2)C1
InChIInChI=1S/C18H27N3O/c1-15(22)21-10-4-5-16(14-21)13-20-11-7-17(8-12-20)18-6-2-3-9-19-18/h2-3,6,9,16-17H,4-5,7-8,10-14H2,1H3
InChIKeyRCKDHMNAHDLOOE-UHFFFAOYSA-N
XLogP2.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
3-[[1-[(1-acetylpiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944972
1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126889048
3-methyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]but-2-en-1-one
CID 95299376
3-(1-acetylpiperidin-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 72912225
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
3-amino-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 119902888
(2R)-2-methyl-1-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 94799591
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
(3S)-3-cyclopropyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 52533815
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189
N-cyclohexyl-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 68873162

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone (CID 54259387) is 1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(CN2CCC(c3ccccn3)CC2)C1.
What is the InChIKey of 1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is RCKDHMNAHDLOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-15(22)21-10-4-5-16(14-21)13-20-11-7-17(8-12-20)18-6-2-3-9-19-18/h2-3,6,9,16-17H,4-5,7-8,10-14H2,1H3.
What are the key properties of 1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 301.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 54259387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).