3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid

C12H16N2O3S — CID 79159609

IUPAC3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCC1CCN(C(=O)Nc2ccsc2C(=O)O)CC1
InChIInChI=1S/C12H16N2O3S/c1-8-2-5-14(6-3-8)12(17)13-9-4-7-18-10(9)11(15)16/h4,7-8H,2-3,5-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyNTWIASPFYIVRQE-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.71
Rot. Bonds2

About 3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid

3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 79159609) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID79159609
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCC1CCN(C(=O)Nc2ccsc2C(=O)O)CC1
InChIInChI=1S/C12H16N2O3S/c1-8-2-5-14(6-3-8)12(17)13-9-4-7-18-10(9)11(15)16/h4,7-8H,2-3,5-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyNTWIASPFYIVRQE-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylazepane-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63627404
(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 61091260
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 79766315
(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 78768210
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 79152139
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
4-bromo-2-[(4-methylazepane-1-carbonyl)amino]benzoic acid
CID 63625124
N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 115581860

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid (CID 79159609) is 3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid is CC1CCN(C(=O)Nc2ccsc2C(=O)O)CC1.
What is the InChIKey of 3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is NTWIASPFYIVRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8-2-5-14(6-3-8)12(17)13-9-4-7-18-10(9)11(15)16/h4,7-8H,2-3,5-6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid?
3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 79159609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).