5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid

C18H32N2O4 — CID 122123402

IUPAC5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC(CC)C1CC(NC(=O)N2CC(C)CC(C(=O)O)C2)CCO1
InChIInChI=1S/C18H32N2O4/c1-4-13(5-2)16-9-15(6-7-24-16)19-18(23)20-10-12(3)8-14(11-20)17(21)22/h12-16H,4-11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyFTWPSYBFNNQKGM-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.72
Rot. Bonds5

About 5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122123402) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122123402
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC(CC)C1CC(NC(=O)N2CC(C)CC(C(=O)O)C2)CCO1
InChIInChI=1S/C18H32N2O4/c1-4-13(5-2)16-9-15(6-7-24-16)19-18(23)20-10-12(3)8-14(11-20)17(21)22/h12-16H,4-11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyFTWPSYBFNNQKGM-UHFFFAOYSA-N
XLogP2.72
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674585
(3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide
CID 124615845
1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid
CID 114548926
5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122123211
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122518
N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167891122
5-methyl-1-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122124025
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030812
5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122122689
5-methyl-1-[[(2S)-1,1,1-trifluorobutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102931

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122123402) is 5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid is CCC(CC)C1CC(NC(=O)N2CC(C)CC(C(=O)O)C2)CCO1.
What is the InChIKey of 5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FTWPSYBFNNQKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-4-13(5-2)16-9-15(6-7-24-16)19-18(23)20-10-12(3)8-14(11-20)17(21)22/h12-16H,4-11H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 340.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122123402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).