1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C21H27N3O2S — CID 16909809

IUPAC1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)NCc3cccs3)CC2)cc1C
InChIInChI=1S/C21H27N3O2S/c1-15-5-6-18(12-16(15)2)23-20(25)14-24-9-7-17(8-10-24)21(26)22-13-19-4-3-11-27-19/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyWVOBBCWSNDDWHW-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.33
Rot. Bonds6

About 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 16909809) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID16909809
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)NCc3cccs3)CC2)cc1C
InChIInChI=1S/C21H27N3O2S/c1-15-5-6-18(12-16(15)2)23-20(25)14-24-9-7-17(8-10-24)21(26)22-13-19-4-3-11-27-19/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyWVOBBCWSNDDWHW-UHFFFAOYSA-N
XLogP3.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909878
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909784
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909803
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909165
1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16910291
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 16909868
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 16909824
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816440
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 16909841
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 16909809) is 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)CN2CCC(C(=O)NCc3cccs3)CC2)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is WVOBBCWSNDDWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-15-5-6-18(12-16(15)2)23-20(25)14-24-9-7-17(8-10-24)21(26)22-13-19-4-3-11-27-19/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).