(3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide

C13H18N2O2S — CID 94200571

IUPAC(3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccsc1
InChIInChI=1S/C13H18N2O2S/c1-9-2-3-11(13(14)17)7-15(9)12(16)6-10-4-5-18-8-10/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,14,17)/t9-,11+/m1/s1
InChIKeyRJYMKYZCLKGFBD-KOLCDFICSA-N
MW266.37 g/mol
LogP1.40
Rot. Bonds3

About (3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide

(3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide (PubChem CID 94200571) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
PubChem CID94200571
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccsc1
InChIInChI=1S/C13H18N2O2S/c1-9-2-3-11(13(14)17)7-15(9)12(16)6-10-4-5-18-8-10/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,14,17)/t9-,11+/m1/s1
InChIKeyRJYMKYZCLKGFBD-KOLCDFICSA-N
XLogP1.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-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

(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 81312924
2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid
CID 106742061
(3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95585226
1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154068
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 102738389
1-(2-anilinoacetyl)-6-methylpiperidine-3-carboxamide
CID 60963532
(3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide
CID 95585501
N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide
CID 77041855

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide (CID 94200571) is (3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide is C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccsc1.
What is the InChIKey of (3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide?
The InChIKey is RJYMKYZCLKGFBD-KOLCDFICSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-2-3-11(13(14)17)7-15(9)12(16)6-10-4-5-18-8-10/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,14,17)/t9-,11+/m1/s1.
What are the key properties of (3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide?
(3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 94200571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).