2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

C14H20N2O4S — CID 114679422

IUPAC2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)N2CCC(O)C(C)C2)c(C(=O)O)c1C
InChIInChI=1S/C14H20N2O4S/c1-7-6-16(5-4-10(7)17)14(20)15-12-11(13(18)19)8(2)9(3)21-12/h7,10,17H,4-6H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyTUIHIJVIXMHAHB-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.30
Rot. Bonds2

About 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 114679422) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID114679422
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)N2CCC(O)C(C)C2)c(C(=O)O)c1C
InChIInChI=1S/C14H20N2O4S/c1-7-6-16(5-4-10(7)17)14(20)15-12-11(13(18)19)8(2)9(3)21-12/h7,10,17H,4-6H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyTUIHIJVIXMHAHB-UHFFFAOYSA-N
XLogP2.30
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 104959521
2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 102961703
1-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122078600
4,5-dimethyl-2-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 63114672
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid
CID 114679454
4,5-dimethyl-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63113547
4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 114679455
ethyl 1-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]piperidine-3-carboxylate
CID 42885610
ethyl (3R)-1-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]piperidine-3-carboxylate
CID 31899538
4,5-dimethyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113965
4,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 63858985
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-5-iodobenzoic acid
CID 114679601

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 114679422) is 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is Cc1sc(NC(=O)N2CCC(O)C(C)C2)c(C(=O)O)c1C.
What is the InChIKey of 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is TUIHIJVIXMHAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-7-6-16(5-4-10(7)17)14(20)15-12-11(13(18)19)8(2)9(3)21-12/h7,10,17H,4-6H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 114679422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).