2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid

C13H22N2O3S — CID 114116876

IUPAC2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCSC1(CNC(=O)N2CCC(C(=O)O)CC2C)CC1
InChIInChI=1S/C13H22N2O3S/c1-9-7-10(11(16)17)3-6-15(9)12(18)14-8-13(19-2)4-5-13/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZSKFYKMQBMBPMU-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.78
Rot. Bonds4

About 2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid

2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 114116876) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID114116876
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCSC1(CNC(=O)N2CCC(C(=O)O)CC2C)CC1
InChIInChI=1S/C13H22N2O3S/c1-9-7-10(11(16)17)3-6-15(9)12(18)14-8-13(19-2)4-5-13/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZSKFYKMQBMBPMU-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-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

1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744540
5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123657
1-(2-cyclopropylpropylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106744532
2-methyl-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106744198
1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106743904
4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 114116894
2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744253
2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106744451
3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114117009
2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744591
2-methyl-1-(4,4,4-trifluorobutylcarbamoyl)piperidine-4-carboxylic acid
CID 106744460
1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742306

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 114116876) is 2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid is CSC1(CNC(=O)N2CCC(C(=O)O)CC2C)CC1.
What is the InChIKey of 2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is ZSKFYKMQBMBPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9-7-10(11(16)17)3-6-15(9)12(18)14-8-13(19-2)4-5-13/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid?
2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 286.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 114116876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).