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

C18H23ClN4O2 — CID 90643566

IUPACN-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-14-4-6-15(7-5-14)21-18(23)22-10-9-20-11-16(22)13-24-17-3-2-8-19-12-17;/h2-8,12,16,20H,9-11,13H2,1H3,(H,21,23);1H
InChIKeyMPPWVVNATCJXEU-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.70
Rot. Bonds4

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

N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 90643566) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
PubChem CID90643566
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-14-4-6-15(7-5-14)21-18(23)22-10-9-20-11-16(22)13-24-17-3-2-8-19-12-17;/h2-8,12,16,20H,9-11,13H2,1H3,(H,21,23);1H
InChIKeyMPPWVVNATCJXEU-UHFFFAOYSA-N
XLogP2.70
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (CID 90643566) is N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is Cc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1.Cl.
What is the InChIKey of N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is MPPWVVNATCJXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.ClH/c1-14-4-6-15(7-5-14)21-18(23)22-10-9-20-11-16(22)13-24-17-3-2-8-19-12-17;/h2-8,12,16,20H,9-11,13H2,1H3,(H,21,23);1H.
What are the key properties of N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 90643566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).