(2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide

C17H27N3O2S — CID 120631423

IUPAC(2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCC(c2cccs2)N2CCOCC2)CCN1
InChIInChI=1S/C17H27N3O2S/c1-13-11-14(4-5-18-13)17(21)19-12-15(16-3-2-10-23-16)20-6-8-22-9-7-20/h2-3,10,13-15,18H,4-9,11-12H2,1H3,(H,19,21)/t13-,14-,15?/m0/s1
InChIKeyMOKIYFYXERJYCD-ZYOSVBKOSA-N
MW337.49 g/mol
LogP1.63
Rot. Bonds5

About (2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide

(2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 120631423) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID120631423
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCC(c2cccs2)N2CCOCC2)CCN1
InChIInChI=1S/C17H27N3O2S/c1-13-11-14(4-5-18-13)17(21)19-12-15(16-3-2-10-23-16)20-6-8-22-9-7-20/h2-3,10,13-15,18H,4-9,11-12H2,1H3,(H,19,21)/t13-,14-,15?/m0/s1
InChIKeyMOKIYFYXERJYCD-ZYOSVBKOSA-N
XLogP1.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120634306
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 119829137
(2S,4S)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634641
(3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 30468496
(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631379
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)spiro[2.5]octane-7-carboxamide
CID 154865751
(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120632113
2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43042508
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634916
(2S,4S)-2-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;hydrochloride
CID 120634783
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 120631423) is (2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCC(c2cccs2)N2CCOCC2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is MOKIYFYXERJYCD-ZYOSVBKOSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-13-11-14(4-5-18-13)17(21)19-12-15(16-3-2-10-23-16)20-6-8-22-9-7-20/h2-3,10,13-15,18H,4-9,11-12H2,1H3,(H,19,21)/t13-,14-,15?/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120631423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).