3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one

C14H20N2O — CID 116594349

IUPAC3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one
SMILESCC(CC(=O)c1cccnc1)C1CCCNC1
InChIInChI=1S/C14H20N2O/c1-11(12-4-2-6-15-9-12)8-14(17)13-5-3-7-16-10-13/h3,5,7,10-12,15H,2,4,6,8-9H2,1H3
InChIKeyNATHLHZZFHTJDA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.29
Rot. Bonds4

About 3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one

3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one (PubChem CID 116594349) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one
PubChem CID116594349
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one
SMILESCC(CC(=O)c1cccnc1)C1CCCNC1
InChIInChI=1S/C14H20N2O/c1-11(12-4-2-6-15-9-12)8-14(17)13-5-3-7-16-10-13/h3,5,7,10-12,15H,2,4,6,8-9H2,1H3
InChIKeyNATHLHZZFHTJDA-UHFFFAOYSA-N
XLogP2.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-3-pyridinyl)-3-piperidin-3-ylbutan-1-one
CID 116594369
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
1-(4-methyl-3-pyridinyl)-3-piperidin-3-ylbutan-1-one
CID 116594457
3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116594401
N-(3-fluoro-4-pyridinyl)-3-piperidin-3-ylbutanamide
CID 107594934
3-piperidin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide;dihydrochloride
CID 119838685
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one
CID 116594477
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one?
The IUPAC name of 3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one (CID 116594349) is 3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one?
The canonical SMILES for 3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one is CC(CC(=O)c1cccnc1)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one?
The InChIKey is NATHLHZZFHTJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(12-4-2-6-15-9-12)8-14(17)13-5-3-7-16-10-13/h3,5,7,10-12,15H,2,4,6,8-9H2,1H3.
What are the key properties of 3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one?
3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 116594349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).