2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H24N2O4 — CID 102962999

IUPAC2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOC1CCCN(C(=O)NC2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-20-10-5-4-8-16(9-10)14(19)15-12-7-3-2-6-11(12)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyOAVQRONPYGZBIZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds3

About 2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 102962999) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID102962999
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOC1CCCN(C(=O)NC2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-20-10-5-4-8-16(9-10)14(19)15-12-7-3-2-6-11(12)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyOAVQRONPYGZBIZ-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817701
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64815349
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
2-(3-methoxypiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120975154
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 114679599
3-hydroxy-N-(2-methoxycyclohexyl)piperidine-1-carboxamide
CID 111508397
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816122
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 102962940
2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 66369912

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 102962999) is 2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is COC1CCCN(C(=O)NC2CCCCC2C(=O)O)C1.
What is the InChIKey of 2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is OAVQRONPYGZBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-20-10-5-4-8-16(9-10)14(19)15-12-7-3-2-6-11(12)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102962999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).