(3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone

C25H25NO — CID 133083666

IUPAC(3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone
SMILESCC1CCC(c2ccccc2)N(C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H25NO/c1-19-17-18-23(20-11-5-2-6-12-20)26(24(19)21-13-7-3-8-14-21)25(27)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3
InChIKeyQNOVEDOXLRYKFX-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.04
Rot. Bonds3

About (3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone

(3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone (PubChem CID 133083666) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone
PubChem CID133083666
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone
SMILESCC1CCC(c2ccccc2)N(C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H25NO/c1-19-17-18-23(20-11-5-2-6-12-20)26(24(19)21-13-7-3-8-14-21)25(27)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3
InChIKeyQNOVEDOXLRYKFX-UHFFFAOYSA-N
XLogP6.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S,3R)-2-methyl-3-phenylaziridin-1-yl]-phenylmethanone
CID 12739484
lithium 2-(2,3-dimethyl-6-phenylpiperidin-1-yl)-2-oxoacetate
CID 164753715
lithium;1-(2,3-dimethyl-6-phenylpiperidin-1-yl)ethane-1,2-dione;hydrate
CID 175470998
[(3aS,7aS)-3-benzoyl-2-methyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-1-yl]-phenylmethanone
CID 102506692
(2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one
CID 101008767
(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
CID 12599630
(4-ethynyl-4-hydroxy-2,6-diphenyl-3-propylpiperidin-1-yl)-phenylmethanone
CID 42649077
1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid
CID 139559148
4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde
CID 126657946
[(1R,2R,4S,5S)-9-ethynyl-9-hydroxy-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-3-yl]-phenylmethanone
CID 23622450
[(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone
CID 15379256
2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid
CID 164752640

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone?
The IUPAC name of (3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone (CID 133083666) is (3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone.
What is the SMILES notation for (3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone?
The canonical SMILES for (3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone is CC1CCC(c2ccccc2)N(C(=O)c2ccccc2)C1c1ccccc1.
What is the InChIKey of (3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone?
The InChIKey is QNOVEDOXLRYKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-19-17-18-23(20-11-5-2-6-12-20)26(24(19)21-13-7-3-8-14-21)25(27)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3.
What are the key properties of (3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone?
(3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone has a molecular weight of 355.48 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone is sourced from PubChem (CID 133083666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).