4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid

C22H26N2O3 — CID 70011318

IUPAC4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid
SMILESO=C(NC1CC(C2CCCC2)CCN1C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H26N2O3/c25-21(19-10-9-16-7-3-4-8-17(16)13-19)23-20-14-18(15-5-1-2-6-15)11-12-24(20)22(26)27/h3-4,7-10,13,15,18,20H,1-2,5-6,11-12,14H2,(H,23,25)(H,26,27)
InChIKeyGLXDGURBIYNZTL-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.48
Rot. Bonds3

About 4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid

4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid (PubChem CID 70011318) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid
PubChem CID70011318
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid
SMILESO=C(NC1CC(C2CCCC2)CCN1C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H26N2O3/c25-21(19-10-9-16-7-3-4-8-17(16)13-19)23-20-14-18(15-5-1-2-6-15)11-12-24(20)22(26)27/h3-4,7-10,13,15,18,20H,1-2,5-6,11-12,14H2,(H,23,25)(H,26,27)
InChIKeyGLXDGURBIYNZTL-UHFFFAOYSA-N
XLogP4.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid?
The IUPAC name of 4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid (CID 70011318) is 4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid is O=C(NC1CC(C2CCCC2)CCN1C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid?
The InChIKey is GLXDGURBIYNZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(19-10-9-16-7-3-4-8-17(16)13-19)23-20-14-18(15-5-1-2-6-15)11-12-24(20)22(26)27/h3-4,7-10,13,15,18,20H,1-2,5-6,11-12,14H2,(H,23,25)(H,26,27).
What are the key properties of 4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid?
4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 70011318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).