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

C20H27ClN4O2 — CID 90643568

IUPACN-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1.Cl
InChIInChI=1S/C20H26N4O2.ClH/c1-15(2)16-5-7-17(8-6-16)23-20(25)24-11-10-22-12-18(24)14-26-19-4-3-9-21-13-19;/h3-9,13,15,18,22H,10-12,14H2,1-2H3,(H,23,25);1H
InChIKeyRLGPWCBUEKATEA-UHFFFAOYSA-N
MW390.92 g/mol
LogP3.51
Rot. Bonds5

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

N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 90643568) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
PubChem CID90643568
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC NameN-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1.Cl
InChIInChI=1S/C20H26N4O2.ClH/c1-15(2)16-5-7-17(8-6-16)23-20(25)24-11-10-22-12-18(24)14-26-19-4-3-9-21-13-19;/h3-9,13,15,18,22H,10-12,14H2,1-2H3,(H,23,25);1H
InChIKeyRLGPWCBUEKATEA-UHFFFAOYSA-N
XLogP3.51
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (CID 90643568) is N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is CC(C)c1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1.Cl.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is RLGPWCBUEKATEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.ClH/c1-15(2)16-5-7-17(8-6-16)23-20(25)24-11-10-22-12-18(24)14-26-19-4-3-9-21-13-19;/h3-9,13,15,18,22H,10-12,14H2,1-2H3,(H,23,25);1H.
What are the key properties of N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 390.92 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 90643568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).