5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid

C16H26N2O4 — CID 122123211

IUPAC5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2CCOC3(CCC3)C2)C1
InChIInChI=1S/C16H26N2O4/c1-11-7-12(14(19)20)10-18(9-11)15(21)17-13-3-6-22-16(8-13)4-2-5-16/h11-13H,2-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyQQPQZQGLQFVEDG-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.84
Rot. Bonds2

About 5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid

5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 122123211) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID122123211
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2CCOC3(CCC3)C2)C1
InChIInChI=1S/C16H26N2O4/c1-11-7-12(14(19)20)10-18(9-11)15(21)17-13-3-6-22-16(8-13)4-2-5-16/h11-13H,2-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyQQPQZQGLQFVEDG-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide
CID 128867970
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
(3aS,6aR)-2-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122007075
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122123402
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122122689
5-methyl-1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122461
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118029
5-oxaspiro[3.5]nonan-8-ylurea
CID 131086736
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid (CID 122123211) is 5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NC2CCOC3(CCC3)C2)C1.
What is the InChIKey of 5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is QQPQZQGLQFVEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-11-7-12(14(19)20)10-18(9-11)15(21)17-13-3-6-22-16(8-13)4-2-5-16/h11-13H,2-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid?
5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 310.39 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122123211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).