1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid

C11H15NO2S — CID 3527407

IUPAC1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cccs1
InChIInChI=1S/C11H15NO2S/c13-11(14)10-5-1-2-6-12(10)8-9-4-3-7-15-9/h3-4,7,10H,1-2,5-6,8H2,(H,13,14)
InChIKeyFHNOGNNMKHCMOM-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.19
Rot. Bonds3

About 1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid

1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 3527407) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid
PubChem CID3527407
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cccs1
InChIInChI=1S/C11H15NO2S/c13-11(14)10-5-1-2-6-12(10)8-9-4-3-7-15-9/h3-4,7,10H,1-2,5-6,8H2,(H,13,14)
InChIKeyFHNOGNNMKHCMOM-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholin-4-YL-thiophen-2-YL-acetic acid
CID 24259071
1-(Thiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 16228278
(Methylamino)(2-Thienyl)Acetic Acid Hydrochloride
CID 50944369
2-(4-Bromothiophen-2-yl)-2-(dimethylamino)acetic acid hydrochloride
CID 54595908
2-(Dimethylamino)-2-(thiophen-2-yl)propanoic acid
CID 54776076
(S)-acetylamino(2-thienyl)acetic acid
CID 52114044
2-[(5-Methylthiophen-2-yl)methyl-propan-2-ylamino]acetic acid
CID 64283208
(2R)-1-(3-ethylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79034640
4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid
CID 12685856
(S)-6-Oxo-1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid
CID 124299699
1-[(2-Fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid
CID 4009318
1-[(4-Fluorophenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid
CID 4021447

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid (CID 3527407) is 1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1cccs1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is FHNOGNNMKHCMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(14)10-5-1-2-6-12(10)8-9-4-3-7-15-9/h3-4,7,10H,1-2,5-6,8H2,(H,13,14).
What are the key properties of 1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid?
1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 3527407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).