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

C18H23ClN4O3 — CID 90643572

IUPACN-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCOc1cccc(NC(=O)N2CCNCC2COc2cccnc2)c1.Cl
InChIInChI=1S/C18H22N4O3.ClH/c1-24-16-5-2-4-14(10-16)21-18(23)22-9-8-20-11-15(22)13-25-17-6-3-7-19-12-17;/h2-7,10,12,15,20H,8-9,11,13H2,1H3,(H,21,23);1H
InChIKeyLAXDTALIZUATTJ-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.40
Rot. Bonds5

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

N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 90643572) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
PubChem CID90643572
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCOc1cccc(NC(=O)N2CCNCC2COc2cccnc2)c1.Cl
InChIInChI=1S/C18H22N4O3.ClH/c1-24-16-5-2-4-14(10-16)21-18(23)22-9-8-20-11-15(22)13-25-17-6-3-7-19-12-17;/h2-7,10,12,15,20H,8-9,11,13H2,1H3,(H,21,23);1H
InChIKeyLAXDTALIZUATTJ-UHFFFAOYSA-N
XLogP2.40
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (CID 90643572) is N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is COc1cccc(NC(=O)N2CCNCC2COc2cccnc2)c1.Cl.
What is the InChIKey of N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is LAXDTALIZUATTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.ClH/c1-24-16-5-2-4-14(10-16)21-18(23)22-9-8-20-11-15(22)13-25-17-6-3-7-19-12-17;/h2-7,10,12,15,20H,8-9,11,13H2,1H3,(H,21,23);1H.
What are the key properties of N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 90643572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).