1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one

C20H24N2O — CID 110407270

IUPAC1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
SMILESCC1CCN(C(=O)C(Cc2ccncc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-16-9-13-22(14-10-16)20(23)19(18-5-3-2-4-6-18)15-17-7-11-21-12-8-17/h2-8,11-12,16,19H,9-10,13-15H2,1H3
InChIKeyYOVJELCJZRERKD-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one

1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one (PubChem CID 110407270) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
PubChem CID110407270
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
SMILESCC1CCN(C(=O)C(Cc2ccncc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-16-9-13-22(14-10-16)20(23)19(18-5-3-2-4-6-18)15-17-7-11-21-12-8-17/h2-8,11-12,16,19H,9-10,13-15H2,1H3
InChIKeyYOVJELCJZRERKD-UHFFFAOYSA-N
XLogP3.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 110417579
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110625050
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110624572
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
CID 92584194
2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one
CID 110309794
N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
CID 86880551
N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24540042
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110407872
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one (CID 110407270) is 1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one is CC1CCN(C(=O)C(Cc2ccncc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one?
The InChIKey is YOVJELCJZRERKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-9-13-22(14-10-16)20(23)19(18-5-3-2-4-6-18)15-17-7-11-21-12-8-17/h2-8,11-12,16,19H,9-10,13-15H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one?
1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one has a molecular weight of 308.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 110407270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).