4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid

C14H20N2O3S — CID 80728222

IUPAC4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CC(C(N)=O)CCC1C
InChIInChI=1S/C14H20N2O3S/c1-8-3-4-10(13(15)17)6-16(8)7-11-5-12(14(18)19)20-9(11)2/h5,8,10H,3-4,6-7H2,1-2H3,(H2,15,17)(H,18,19)
InChIKeyUQUIUCPEVSILHB-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.84
Rot. Bonds4

About 4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid

4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 80728222) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
PubChem CID80728222
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CC(C(N)=O)CCC1C
InChIInChI=1S/C14H20N2O3S/c1-8-3-4-10(13(15)17)6-16(8)7-11-5-12(14(18)19)20-9(11)2/h5,8,10H,3-4,6-7H2,1-2H3,(H2,15,17)(H,18,19)
InChIKeyUQUIUCPEVSILHB-UHFFFAOYSA-N
XLogP1.84
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80727249
3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 54989275
4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 83095890
5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid
CID 80727247
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-methylthiophene-2-carboxylic acid
CID 80730721
(3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
CID 97246020
(3R,6R)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
CID 98853607
5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 103498227
(3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide
CID 95302032
5-methyl-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]thiophene-2-carboxylic acid
CID 80727591
1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 54989482
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-6-methylpiperidine-3-carboxamide
CID 62894836

Frequently Asked Questions

What is the IUPAC name of 4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid (CID 80728222) is 4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1CN1CC(C(N)=O)CCC1C.
What is the InChIKey of 4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is UQUIUCPEVSILHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8-3-4-10(13(15)17)6-16(8)7-11-5-12(14(18)19)20-9(11)2/h5,8,10H,3-4,6-7H2,1-2H3,(H2,15,17)(H,18,19).
What are the key properties of 4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid?
4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 80728222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).