1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one

C24H31NO — CID 141148896

IUPAC1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
SMILESCc1ccc(C2CCCN(C(=O)CCc3ccc(C(C)C)cc3)C2)cc1
InChIInChI=1S/C24H31NO/c1-18(2)21-13-8-20(9-14-21)10-15-24(26)25-16-4-5-23(17-25)22-11-6-19(3)7-12-22/h6-9,11-14,18,23H,4-5,10,15-17H2,1-3H3
InChIKeyFGUSKFXYKWMBGN-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.46
Rot. Bonds5

About 1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one

1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one (PubChem CID 141148896) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
PubChem CID141148896
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
SMILESCc1ccc(C2CCCN(C(=O)CCc3ccc(C(C)C)cc3)C2)cc1
InChIInChI=1S/C24H31NO/c1-18(2)21-13-8-20(9-14-21)10-15-24(26)25-16-4-5-23(17-25)22-11-6-19(3)7-12-22/h6-9,11-14,18,23H,4-5,10,15-17H2,1-3H3
InChIKeyFGUSKFXYKWMBGN-UHFFFAOYSA-N
XLogP5.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-3-yl]benzoic acid
CID 18448494
1-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 95283468
1-[3-(4-chlorophenyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 118779777
1-[3-(bromomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 80660782
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
methyl 1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate
CID 78919193
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774407
1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774449
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
1-[3-(4-methoxyphenyl)azepan-1-yl]-3-phenylpropan-1-one
CID 121147024
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 103900134

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one (CID 141148896) is 1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one is Cc1ccc(C2CCCN(C(=O)CCc3ccc(C(C)C)cc3)C2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one?
The InChIKey is FGUSKFXYKWMBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-18(2)21-13-8-20(9-14-21)10-15-24(26)25-16-4-5-23(17-25)22-11-6-19(3)7-12-22/h6-9,11-14,18,23H,4-5,10,15-17H2,1-3H3.
What are the key properties of 1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one?
1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one has a molecular weight of 349.52 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 141148896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).