ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride

C17H25ClN2O3 — CID 2900775

IUPACethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(CCC(=O)Nc2ccccc2)C1.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
MW340.85 g/mol
LogP2.71
Rot. Bonds6

About ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride

ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride (PubChem CID 2900775) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride
PubChem CID2900775
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Nameethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(CCC(=O)Nc2ccccc2)C1.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
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride (CID 2900775) is ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride is CCOC(=O)C1CCCN(CCC(=O)Nc2ccccc2)C1.Cl.
What is the InChIKey of ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride?
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 ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride?
ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-anilino-3-oxopropyl)piperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 2900775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).