(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone

C20H24N2O — CID 86826256

IUPAC(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)cc1C
InChIInChI=1S/C20H24N2O/c1-15-8-9-17(14-16(15)2)20(23)22-12-10-19(11-13-22)21-18-6-4-3-5-7-18/h3-9,14,19,21H,10-13H2,1-2H3
InChIKeyPVGXHQXXANIBPP-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.02
Rot. Bonds3

About (4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone

(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone (PubChem CID 86826256) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
PubChem CID86826256
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)cc1C
InChIInChI=1S/C20H24N2O/c1-15-8-9-17(14-16(15)2)20(23)22-12-10-19(11-13-22)21-18-6-4-3-5-7-18/h3-9,14,19,21H,10-13H2,1-2H3
InChIKeyPVGXHQXXANIBPP-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
CID 110422011
N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550471
ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
CID 47906995
1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006126
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
1-(1-benzoylpiperidin-4-yl)-3-(3,4-dimethylphenyl)thiourea
CID 92519816
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
5-(3-anilinopyrrolidine-1-carbonyl)-2-(2,5-dimethylphenyl)isoindole-1,3-dione
CID 56504325
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146

Frequently Asked Questions

What is the IUPAC name of (4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone (CID 86826256) is (4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)cc1C.
What is the InChIKey of (4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone?
The InChIKey is PVGXHQXXANIBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-8-9-17(14-16(15)2)20(23)22-12-10-19(11-13-22)21-18-6-4-3-5-7-18/h3-9,14,19,21H,10-13H2,1-2H3.
What are the key properties of (4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone?
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone has a molecular weight of 308.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 86826256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).