2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid

C13H17NO3S — CID 106742061

IUPAC2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)Cc1ccsc1
InChIInChI=1S/C13H17NO3S/c1-9-6-11(13(16)17)2-4-14(9)12(15)7-10-3-5-18-8-10/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,16,17)
InChIKeyYRIZNWNMPXPVRR-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.00
Rot. Bonds3

About 2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid

2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid (PubChem CID 106742061) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid
PubChem CID106742061
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)Cc1ccsc1
InChIInChI=1S/C13H17NO3S/c1-9-6-11(13(16)17)2-4-14(9)12(15)7-10-3-5-18-8-10/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,16,17)
InChIKeyYRIZNWNMPXPVRR-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 102738389
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 106742049
(3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94200571
1-[(3aS,6aS)-1-[2-(dimethylamino)ethyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-thiophen-3-ylethanone
CID 97458892
2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 106744854
(2S,4R)-4-hydroxy-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid
CID 28778404
1-[(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-thiophen-3-ylethanone
CID 97458981
4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 78979377
1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde
CID 86196085
tert-butyl (3S)-3-methyl-4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate
CID 97176946
1-butanoyl-2-methylpiperidine-4-carboxylic acid
CID 106741752

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid (CID 106742061) is 2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)Cc1ccsc1.
What is the InChIKey of 2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid?
The InChIKey is YRIZNWNMPXPVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9-6-11(13(16)17)2-4-14(9)12(15)7-10-3-5-18-8-10/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,16,17).
What are the key properties of 2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid?
2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106742061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).