2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid

C15H26N2O3 — CID 106740331

IUPAC2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC1CC(C(=O)NC2CCCCCC2C(=O)O)CCN1
InChIInChI=1S/C15H26N2O3/c1-10-9-11(7-8-16-10)14(18)17-13-6-4-2-3-5-12(13)15(19)20/h10-13,16H,2-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyGTCKBQSZANKIKT-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.52
Rot. Bonds3

About 2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid

2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 106740331) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID106740331
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC1CC(C(=O)NC2CCCCCC2C(=O)O)CCN1
InChIInChI=1S/C15H26N2O3/c1-10-9-11(7-8-16-10)14(18)17-13-6-4-2-3-5-12(13)15(19)20/h10-13,16H,2-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyGTCKBQSZANKIKT-UHFFFAOYSA-N
XLogP1.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 106740331) is 2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid is CC1CC(C(=O)NC2CCCCCC2C(=O)O)CCN1.
What is the InChIKey of 2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is GTCKBQSZANKIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-9-11(7-8-16-10)14(18)17-13-6-4-2-3-5-12(13)15(19)20/h10-13,16H,2-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 106740331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).