3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one

C24H32N2O — CID 154794005

IUPAC3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1ccc(C2C(C)CCCN2C(=O)CC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C24H32N2O/c1-18-12-14-21(15-13-18)24-19(2)9-8-16-26(24)23(27)17-22(25(3)4)20-10-6-5-7-11-20/h5-7,10-15,19,22,24H,8-9,16-17H2,1-4H3
InChIKeyOUYSQWQHSBCUEL-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.99
Rot. Bonds5

About 3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one

3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 154794005) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID154794005
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1ccc(C2C(C)CCCN2C(=O)CC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C24H32N2O/c1-18-12-14-21(15-13-18)24-19(2)9-8-16-26(24)23(27)17-22(25(3)4)20-10-6-5-7-11-20/h5-7,10-15,19,22,24H,8-9,16-17H2,1-4H3
InChIKeyOUYSQWQHSBCUEL-UHFFFAOYSA-N
XLogP4.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 124595909
N-cyclopropyl-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide
CID 71874842
4-methyl-2-[2-[(2R,3S)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazol-3-one
CID 124615920
[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone
CID 119330882
(3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
CID 125146845
(3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119796649
3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119704820
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
(2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide
CID 97005705
4-(dimethylamino)-4-(4-methylphenyl)butan-2-one
CID 82126356
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate
CID 165407566

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one (CID 154794005) is 3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one is Cc1ccc(C2C(C)CCCN2C(=O)CC(c2ccccc2)N(C)C)cc1.
What is the InChIKey of 3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is OUYSQWQHSBCUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-18-12-14-21(15-13-18)24-19(2)9-8-16-26(24)23(27)17-22(25(3)4)20-10-6-5-7-11-20/h5-7,10-15,19,22,24H,8-9,16-17H2,1-4H3.
What are the key properties of 3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one?
3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 364.53 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 154794005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).