N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride

C17H20Cl2N4O2 — CID 90643560

IUPACN-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)cc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H19ClN4O2.ClH/c18-13-3-5-14(6-4-13)21-17(23)22-9-8-20-10-15(22)12-24-16-2-1-7-19-11-16;/h1-7,11,15,20H,8-10,12H2,(H,21,23);1H
InChIKeyLAPQXHIXLNPJHK-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.04
Rot. Bonds4

About N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride

N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 90643560) has the molecular formula C17H20Cl2N4O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
PubChem CID90643560
Molecular FormulaC17H20Cl2N4O2
Molecular Weight383.28 g/mol
Exact Mass382.10
IUPAC NameN-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)cc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H19ClN4O2.ClH/c18-13-3-5-14(6-4-13)21-17(23)22-9-8-20-10-15(22)12-24-16-2-1-7-19-11-16;/h1-7,11,15,20H,8-10,12H2,(H,21,23);1H
InChIKeyLAPQXHIXLNPJHK-UHFFFAOYSA-N
XLogP3.04
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (CID 90643560) is N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Cl)cc1)N1CCNCC1COc1cccnc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is LAPQXHIXLNPJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2.ClH/c18-13-3-5-14(6-4-13)21-17(23)22-9-8-20-10-15(22)12-24-16-2-1-7-19-11-16;/h1-7,11,15,20H,8-10,12H2,(H,21,23);1H.
What are the key properties of N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 383.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 90643560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).