1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid

C12H14ClNO3S — CID 122119428

IUPAC1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C12H14ClNO3S/c1-7-4-8(12(16)17)6-14(5-7)11(15)9-2-3-10(13)18-9/h2-3,7-8H,4-6H2,1H3,(H,16,17)
InChIKeyRJARNWIHDIESGS-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.58
Rot. Bonds2

About 1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid

1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119428) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is 1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122119428
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C12H14ClNO3S/c1-7-4-8(12(16)17)6-14(5-7)11(15)9-2-3-10(13)18-9/h2-3,7-8H,4-6H2,1H3,(H,16,17)
InChIKeyRJARNWIHDIESGS-UHFFFAOYSA-N
XLogP2.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118470
(5-chlorothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27233889
(5-chlorothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25237037
(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 79879754
(3S,4S)-1-(5-chlorothiophene-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951011
(5-chlorothiophen-2-yl)-(1,3-thiazolidin-3-yl)methanone
CID 56826373
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
1-[3-chloro-5-(trifluoromethyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117410
1-[2-(4-chlorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119518
1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103079

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid (CID 122119428) is 1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is RJARNWIHDIESGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c1-7-4-8(12(16)17)6-14(5-7)11(15)9-2-3-10(13)18-9/h2-3,7-8H,4-6H2,1H3,(H,16,17).
What are the key properties of 1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid?
1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 287.77 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).