(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C22H27N3O3S — CID 31936453

IUPAC(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C22H27N3O3S/c1-15-7-4-8-16(2)20(15)23-19(26)14-24(3)21(27)17-9-5-11-25(13-17)22(28)18-10-6-12-29-18/h4,6-8,10,12,17H,5,9,11,13-14H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyLVXVTYWGKVRLAV-QGZVFWFLSA-N
MW413.54 g/mol
LogP3.31
Rot. Bonds5

About (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 31936453) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID31936453
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C22H27N3O3S/c1-15-7-4-8-16(2)20(15)23-19(26)14-24(3)21(27)17-9-5-11-25(13-17)22(28)18-10-6-12-29-18/h4,6-8,10,12,17H,5,9,11,13-14H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyLVXVTYWGKVRLAV-QGZVFWFLSA-N
XLogP3.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
(3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784172
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
3-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 134044641
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002801
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55862816
(3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide
CID 8793721
4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672752
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053277
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 31936453) is (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is LVXVTYWGKVRLAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-15-7-4-8-16(2)20(15)23-19(26)14-24(3)21(27)17-9-5-11-25(13-17)22(28)18-10-6-12-29-18/h4,6-8,10,12,17H,5,9,11,13-14H2,1-3H3,(H,23,26)/t17-/m1/s1.
What are the key properties of (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 31936453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).