1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid

C15H26N2O3 — CID 63124209

IUPAC1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCC2CCCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-15(13(18)19)7-10-17(11-8-15)14(20)16-9-6-12-4-2-3-5-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyVFTMEOCRCDOOIZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds4

About 1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid

1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124209) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63124209
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCC2CCCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-15(13(18)19)7-10-17(11-8-15)14(20)16-9-6-12-4-2-3-5-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyVFTMEOCRCDOOIZ-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid (CID 63124209) is 1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCCC2CCCC2)CC1.
What is the InChIKey of 1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is VFTMEOCRCDOOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(13(18)19)7-10-17(11-8-15)14(20)16-9-6-12-4-2-3-5-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).