(3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C19H29N3O3S — CID 30784172

IUPAC(3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C19H29N3O3S/c1-5-21(13-16(23)20-19(2,3)4)17(24)14-8-6-10-22(12-14)18(25)15-9-7-11-26-15/h7,9,11,14H,5-6,8,10,12-13H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyKUYABOYUOBFLJS-CQSZACIVSA-N
MW379.53 g/mol
LogP2.36
Rot. Bonds5

About (3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 30784172) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is (3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID30784172
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name(3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C19H29N3O3S/c1-5-21(13-16(23)20-19(2,3)4)17(24)14-8-6-10-22(12-14)18(25)15-9-7-11-26-15/h7,9,11,14H,5-6,8,10,12-13H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyKUYABOYUOBFLJS-CQSZACIVSA-N
XLogP2.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 31936453
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N,N-diethyl-2-[4-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55642349
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55413326
N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide
CID 46404082
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 30784172) is (3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of (3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is KUYABOYUOBFLJS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-5-21(13-16(23)20-19(2,3)4)17(24)14-8-6-10-22(12-14)18(25)15-9-7-11-26-15/h7,9,11,14H,5-6,8,10,12-13H2,1-4H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 30784172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).