3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide

C23H29N3O2 — CID 21307091

IUPAC3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2(c3ccc(C(=O)N(C)C)cc3)CCN(C)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-24-21(27)18-6-5-7-20(16-18)23(12-14-26(4)15-13-23)19-10-8-17(9-11-19)22(28)25(2)3/h5-11,16H,12-15H2,1-4H3,(H,24,27)
InChIKeySQPDNSMTYXBALM-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.76
Rot. Bonds4

About 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide

3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide (PubChem CID 21307091) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide
PubChem CID21307091
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2(c3ccc(C(=O)N(C)C)cc3)CCN(C)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-24-21(27)18-6-5-7-20(16-18)23(12-14-26(4)15-13-23)19-10-8-17(9-11-19)22(28)25(2)3/h5-11,16H,12-15H2,1-4H3,(H,24,27)
InChIKeySQPDNSMTYXBALM-UHFFFAOYSA-N
XLogP2.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane
CID 91014030
ethane;methyl 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzoate
CID 90914269
N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide
CID 21307110
3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 57327062
N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
CID 58147184
3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide
CID 11572860
3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
CID 82990188
1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 119350549
1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide
CID 171530653
1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 110008531
ethane;4-(4-isocyanophenyl)-1-methyl-4-(3-methylphenyl)piperidine
CID 91593717
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide?
The IUPAC name of 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide (CID 21307091) is 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide?
The canonical SMILES for 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide is CNC(=O)c1cccc(C2(c3ccc(C(=O)N(C)C)cc3)CCN(C)CC2)c1.
What is the InChIKey of 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide?
The InChIKey is SQPDNSMTYXBALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-24-21(27)18-6-5-7-20(16-18)23(12-14-26(4)15-13-23)19-10-8-17(9-11-19)22(28)25(2)3/h5-11,16H,12-15H2,1-4H3,(H,24,27).
What are the key properties of 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide?
3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 21307091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).