5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid

C17H31N3O3 — CID 122122171

IUPAC5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCC(C)N2CCCC(C)C2)C1
InChIInChI=1S/C17H31N3O3/c1-12-5-4-6-19(9-12)14(3)8-18-17(23)20-10-13(2)7-15(11-20)16(21)22/h12-15H,4-11H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyMBJVDOOANJCMIV-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.86
Rot. Bonds4

About 5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122122171) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122122171
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCC(C)N2CCCC(C)C2)C1
InChIInChI=1S/C17H31N3O3/c1-12-5-4-6-19(9-12)14(3)8-18-17(23)20-10-13(2)7-15(11-20)16(21)22/h12-15H,4-11H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyMBJVDOOANJCMIV-UHFFFAOYSA-N
XLogP1.86
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-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

N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 98752850
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94099206
1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122879
4-methyl-N-(2-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 115589370
4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 122144140
1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122852
ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate
CID 87005476
2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106744451
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47036190

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid (CID 122122171) is 5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCC(C)N2CCCC(C)C2)C1.
What is the InChIKey of 5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is MBJVDOOANJCMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-12-5-4-6-19(9-12)14(3)8-18-17(23)20-10-13(2)7-15(11-20)16(21)22/h12-15H,4-11H2,1-3H3,(H,18,23)(H,21,22).
What are the key properties of 5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 325.45 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122122171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).