2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid

C12H22N2O3 — CID 79406833

IUPAC2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid
SMILESCNC(=O)C1CCN(C(C)C(C)C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-8(12(16)17)9(2)14-6-4-10(5-7-14)11(15)13-3/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyHRCVEOUTDBFDHM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.55
Rot. Bonds4

About 2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid

2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid (PubChem CID 79406833) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid
PubChem CID79406833
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid
SMILESCNC(=O)C1CCN(C(C)C(C)C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-8(12(16)17)9(2)14-6-4-10(5-7-14)11(15)13-3/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyHRCVEOUTDBFDHM-UHFFFAOYSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid
CID 79407467
(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
CID 130272211
2-methyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoic acid
CID 79414773
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 64687530
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413727
1-(2-aminopropyl)-N-methylpiperidine-4-carboxamide
CID 102688944
N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide
CID 79396383
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide
CID 43578941
3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440018

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid (CID 79406833) is 2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid is CNC(=O)C1CCN(C(C)C(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid?
The InChIKey is HRCVEOUTDBFDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(12(16)17)9(2)14-6-4-10(5-7-14)11(15)13-3/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid?
2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 79406833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).