1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one

C13H18N2O — CID 83888260

IUPAC1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C13H18N2O/c1-11(16)9-12-5-6-13(14-10-12)15-7-3-2-4-8-15/h5-6,10H,2-4,7-9H2,1H3
InChIKeyWDFUZINJQSGDBV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.20
Rot. Bonds3

About 1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one

1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one (PubChem CID 83888260) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
PubChem CID83888260
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C13H18N2O/c1-11(16)9-12-5-6-13(14-10-12)15-7-3-2-4-8-15/h5-6,10H,2-4,7-9H2,1H3
InChIKeyWDFUZINJQSGDBV-UHFFFAOYSA-N
XLogP2.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
CID 83888257
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111049216

Frequently Asked Questions

What is the IUPAC name of 1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one?
The IUPAC name of 1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one (CID 83888260) is 1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one is CC(=O)Cc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one?
The InChIKey is WDFUZINJQSGDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(16)9-12-5-6-13(14-10-12)15-7-3-2-4-8-15/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one?
1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one is sourced from PubChem (CID 83888260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).