1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester

C17H25ClN2O3 — CID 2900775

IUPACethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC=CC=C2.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-2-22-17(21)14-7-6-11-19(13-14)12-10-16(20)18-15-8-4-3-5-9-15;/h3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,18,20);1H
InChIKeyNYBRINFEFZLLJW-UHFFFAOYSA-N
MW340.80 g/mol
LogP—
Rot. Bonds7

About 1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester

1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester (PubChem CID 2900775) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.80 g/mol. Its IUPAC name is ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester
PubChem CID2900775
Molecular FormulaC17H25ClN2O3
Molecular Weight340.80 g/mol
Exact Mass340.16
IUPAC Nameethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC=CC=C2.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-2-22-17(21)14-7-6-11-19(13-14)12-10-16(20)18-15-8-4-3-5-9-15;/h3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,18,20);1H
InChIKeyNYBRINFEFZLLJW-UHFFFAOYSA-N
XLogP—
TPSA58.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity367

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester?
The IUPAC name of 1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester (CID 2900775) is ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for 1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester?
The canonical SMILES for 1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester is CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC=CC=C2.Cl.
What is the InChIKey of 1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester?
The InChIKey is NYBRINFEFZLLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-2-22-17(21)14-7-6-11-19(13-14)12-10-16(20)18-15-8-4-3-5-9-15;/h3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,18,20);1H.
What are the key properties of 1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester?
1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester has a molecular weight of 340.80 g/mol, XLogP of not available, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester is sourced from PubChem (CID 2900775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).