4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one

C15H20N2O2 — CID 115276831

IUPAC4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one
SMILESCC1(C)CCN(C(=O)CCc2ccncc2)CC1=O
InChIInChI=1S/C15H20N2O2/c1-15(2)7-10-17(11-13(15)18)14(19)4-3-12-5-8-16-9-6-12/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyVRIQWOARJCYQLO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.84
Rot. Bonds3

About 4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one

4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one (PubChem CID 115276831) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one
PubChem CID115276831
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one
SMILESCC1(C)CCN(C(=O)CCc2ccncc2)CC1=O
InChIInChI=1S/C15H20N2O2/c1-15(2)7-10-17(11-13(15)18)14(19)4-3-12-5-8-16-9-6-12/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyVRIQWOARJCYQLO-UHFFFAOYSA-N
XLogP1.84
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425
3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 123982868
2-[3-oxo-9-(3-pyridin-4-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 86284128
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 115270676
3-methyl-1-(2-methylpropyl)-8-(3-pyridin-4-ylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165426641
1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 126833498
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 114779032
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574556
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
CID 97272698
(3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97150471
3-(4-ethylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 110709163

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one?
The IUPAC name of 4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one (CID 115276831) is 4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one.
What is the SMILES notation for 4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one?
The canonical SMILES for 4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one is CC1(C)CCN(C(=O)CCc2ccncc2)CC1=O.
What is the InChIKey of 4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one?
The InChIKey is VRIQWOARJCYQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)7-10-17(11-13(15)18)14(19)4-3-12-5-8-16-9-6-12/h5-6,8-9H,3-4,7,10-11H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one?
4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one has a molecular weight of 260.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one is sourced from PubChem (CID 115276831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).