3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane

C26H39N3O2 — CID 91014030

IUPAC3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane
SMILESCC.CC.CN1CCC(c2ccc(C(=O)N(C)C)cc2)(c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C22H27N3O2.2C2H6/c1-24(2)21(27)16-7-9-18(10-8-16)22(11-13-25(3)14-12-22)19-6-4-5-17(15-19)20(23)26;2*1-2/h4-10,15H,11-14H2,1-3H3,(H2,23,26);2*1-2H3
InChIKeyUZGNHKYTWIVCPP-UHFFFAOYSA-N
MW425.62 g/mol
LogP4.55
Rot. Bonds4

About 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane

3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane (PubChem CID 91014030) has the molecular formula C26H39N3O2 and a molecular weight of 425.62 g/mol. Its IUPAC name is 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane.

Molecular Properties

Compound Name3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane
PubChem CID91014030
Molecular FormulaC26H39N3O2
Molecular Weight425.62 g/mol
Exact Mass425.30
IUPAC Name3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane
SMILESCC.CC.CN1CCC(c2ccc(C(=O)N(C)C)cc2)(c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C22H27N3O2.2C2H6/c1-24(2)21(27)16-7-9-18(10-8-16)22(11-13-25(3)14-12-22)19-6-4-5-17(15-19)20(23)26;2*1-2/h4-10,15H,11-14H2,1-3H3,(H2,23,26);2*1-2H3
InChIKeyUZGNHKYTWIVCPP-UHFFFAOYSA-N
XLogP4.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzoate
CID 90914269
3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]-N-methylbenzamide
CID 21307091
N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide
CID 21307110
4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide
CID 1401411
3-amino-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide
CID 167047875
ethane;4-(4-isocyanophenyl)-1-methyl-4-(3-methylphenyl)piperidine
CID 91593717
3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
CID 82990188
3-(1-hydroxycyclohexyl)benzamide
CID 175712607
3-[[[N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111874013
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
4-amino-3-(4-methylpiperazin-1-yl)benzamide
CID 55189987
2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide
CID 175783724

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane?
The IUPAC name of 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane (CID 91014030) is 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane.
What is the SMILES notation for 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane?
The canonical SMILES for 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane is CC.CC.CN1CCC(c2ccc(C(=O)N(C)C)cc2)(c2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane?
The InChIKey is UZGNHKYTWIVCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.2C2H6/c1-24(2)21(27)16-7-9-18(10-8-16)22(11-13-25(3)14-12-22)19-6-4-5-17(15-19)20(23)26;2*1-2/h4-10,15H,11-14H2,1-3H3,(H2,23,26);2*1-2H3.
What are the key properties of 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane?
3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane has a molecular weight of 425.62 g/mol, XLogP of 4.55, 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]benzamide;ethane is sourced from PubChem (CID 91014030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).