N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride

C18H22Cl2N4O3 — CID 119480725

About N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119480725) has the molecular formula C18H22Cl2N4O3 and a molecular weight of 413.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
• PubChem CID: 119480725
• Molecular Formula: C18H22Cl2N4O3
• Molecular Weight: 413.31 g/mol
• Exact Mass: 412.11
• IUPAC Name: N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
• SMILES: Cl.NCCNC(=O)C1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1
• InChI: InChI=1S/C18H21ClN4O3.ClH/c19-14-5-1-3-12(9-14)15-10-16(26-22-15)18(25)23-8-2-4-13(11-23)17(24)21-7-6-20;/h1,3,5,9-10,13H,2,4,6-8,11,20H2,(H,21,24);1H
• InChIKey: XSOSSVPLEAHJNN-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 101.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.31
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride?

The IUPAC name of N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride (CID 119480725) is N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride.

What is the SMILES notation for N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride?

The canonical SMILES for N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1.

What is the InChIKey of N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride?

The InChIKey is XSOSSVPLEAHJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3.ClH/c19-14-5-1-3-12(9-14)15-10-16(26-22-15)18(25)23-8-2-4-13(11-23)17(24)21-7-6-20;/h1,3,5,9-10,13H,2,4,6-8,11,20H2,(H,21,24);1H.

What are the key properties of N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride?

N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 413.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119480725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).