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

C14H24N2O4 — CID 23108354

IUPAC1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOC1CCCCN1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O4/c1-20-11-7-3-6-10-16(11)13(19)15-14(12(17)18)8-4-2-5-9-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeySVICDQMTTYOANQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.94
Rot. Bonds3

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

1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 23108354) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID23108354
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOC1CCCCN1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O4/c1-20-11-7-3-6-10-16(11)13(19)15-14(12(17)18)8-4-2-5-9-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeySVICDQMTTYOANQ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 23108354) is 1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is COC1CCCCN1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SVICDQMTTYOANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-20-11-7-3-6-10-16(11)13(19)15-14(12(17)18)8-4-2-5-9-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 23108354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).