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

C17H20Cl2N4O2 — CID 90643564

IUPACN-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(Cl)c1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H19ClN4O2.ClH/c18-13-3-1-4-14(9-13)21-17(23)22-8-7-20-10-15(22)12-24-16-5-2-6-19-11-16;/h1-6,9,11,15,20H,7-8,10,12H2,(H,21,23);1H
InChIKeyTXEIJEKXGNNBKA-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.04
Rot. Bonds4

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

N-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 90643564) has the molecular formula C17H20Cl2N4O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
PubChem CID90643564
Molecular FormulaC17H20Cl2N4O2
Molecular Weight383.28 g/mol
Exact Mass382.10
IUPAC NameN-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(Cl)c1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H19ClN4O2.ClH/c18-13-3-1-4-14(9-13)21-17(23)22-8-7-20-10-15(22)12-24-16-5-2-6-19-11-16;/h1-6,9,11,15,20H,7-8,10,12H2,(H,21,23);1H
InChIKeyTXEIJEKXGNNBKA-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (CID 90643564) is N-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(Cl)c1)N1CCNCC1COc1cccnc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is TXEIJEKXGNNBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2.ClH/c18-13-3-1-4-14(9-13)21-17(23)22-8-7-20-10-15(22)12-24-16-5-2-6-19-11-16;/h1-6,9,11,15,20H,7-8,10,12H2,(H,21,23);1H.
What are the key properties of N-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
N-(3-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-(3-chlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 90643564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).