N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide

C29H37N3O2S — CID 45485877

IUPACN,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3cccs3)CC2)cc1
InChIInChI=1S/C29H37N3O2S/c1-4-31(5-2)29(33)23-11-13-24(14-12-23)32(26-8-6-9-27(22-26)34-3)25-15-18-30(19-16-25)20-17-28-10-7-21-35-28/h6-14,21-22,25H,4-5,15-20H2,1-3H3
InChIKeyHPLBEWFHWQSGMS-UHFFFAOYSA-N
MW491.70 g/mol
LogP6.08
Rot. Bonds10

About N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide

N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide (PubChem CID 45485877) has the molecular formula C29H37N3O2S and a molecular weight of 491.70 g/mol. Its IUPAC name is N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide
PubChem CID45485877
Molecular FormulaC29H37N3O2S
Molecular Weight491.70 g/mol
Exact Mass491.26
IUPAC NameN,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3cccs3)CC2)cc1
InChIInChI=1S/C29H37N3O2S/c1-4-31(5-2)29(33)23-11-13-24(14-12-23)32(26-8-6-9-27(22-26)34-3)25-15-18-30(19-16-25)20-17-28-10-7-21-35-28/h6-14,21-22,25H,4-5,15-20H2,1-3H3
InChIKeyHPLBEWFHWQSGMS-UHFFFAOYSA-N
XLogP6.08
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.70
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-((3-hydroxyphenyl)(1-(2-(thiophen-3-yl)ethyl)piperidin-4-yl)amino)benzamide
CID 45486046
3-{1-[(5-Acetylthiophen-2-Yl)carbonyl]piperidin-4-Yl}-N-(3-Methoxyphenyl)propanamide
CID 24790658
N-(4-Methylphenyl)-4-(propan-2-yloxy)-N-[(thiophen-2-YL)methyl]benzamide
CID 16015899
N,N-diethyl-4-((3-hydroxyphenyl)(1-(2-(thiophen-2-yl)ethyl)piperidin-4-yl)amino)benzamide
CID 45486096
(7-(3-(piperidin-1-yl)propoxy)-3,4-dihydroquinolin-1(2H)-yl)(thiophen-2-yl)methanone
CID 10452629
2,2,2-Trifluoro-1-(5-(4-(3-methoxyphenyl)piperazine-1-carbonyl)thiophen-2-yl)ethanone
CID 44589698
5-(2-fluoro-3-methoxyphenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60165269
N,5-bis(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196493
N-(3-methoxyphenyl)-N-methyl-5-phenylthiophene-2-carboxamide
CID 60196497
N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196599
5-(3-(Dimethylamino)phenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196601
5-(3-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196604

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide?
The IUPAC name of N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide (CID 45485877) is N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3cccs3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide?
The InChIKey is HPLBEWFHWQSGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2S/c1-4-31(5-2)29(33)23-11-13-24(14-12-23)32(26-8-6-9-27(22-26)34-3)25-15-18-30(19-16-25)20-17-28-10-7-21-35-28/h6-14,21-22,25H,4-5,15-20H2,1-3H3.
What are the key properties of N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide?
N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide has a molecular weight of 491.70 g/mol, XLogP of 6.08, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-methoxy-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]anilino)benzamide is sourced from PubChem (CID 45485877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).