3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid

C14H20N2O3S — CID 63136606

IUPAC3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(CC(=O)NCc2cccs2)C1
InChIInChI=1S/C14H20N2O3S/c1-14(13(18)19)5-3-6-16(10-14)9-12(17)15-8-11-4-2-7-20-11/h2,4,7H,3,5-6,8-10H2,1H3,(H,15,17)(H,18,19)
InChIKeyKUULCWQTCDYNII-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.55
Rot. Bonds5

About 3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid

3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid (PubChem CID 63136606) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
PubChem CID63136606
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(CC(=O)NCc2cccs2)C1
InChIInChI=1S/C14H20N2O3S/c1-14(13(18)19)5-3-6-16(10-14)9-12(17)15-8-11-4-2-7-20-11/h2,4,7H,3,5-6,8-10H2,1H3,(H,15,17)(H,18,19)
InChIKeyKUULCWQTCDYNII-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
1-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136602
(3S,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
CID 135105236
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 62357149
3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 63137210
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137212
3-methyl-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148115
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 175642147
1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136985
1-[2-(2-chloroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136943
2-[(3R)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9275407

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid (CID 63136606) is 3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(CC(=O)NCc2cccs2)C1.
What is the InChIKey of 3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid?
The InChIKey is KUULCWQTCDYNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-14(13(18)19)5-3-6-16(10-14)9-12(17)15-8-11-4-2-7-20-11/h2,4,7H,3,5-6,8-10H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid?
3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63136606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).