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

C23H25ClN4O2 — CID 90643580

IUPACN-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2ccccc2)cc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C23H24N4O2.ClH/c28-23(26-20-10-8-19(9-11-20)18-5-2-1-3-6-18)27-14-13-25-15-21(27)17-29-22-7-4-12-24-16-22;/h1-12,16,21,25H,13-15,17H2,(H,26,28);1H
InChIKeyFVFZBMMMHMDOMU-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.06
Rot. Bonds5

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

N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 90643580) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
PubChem CID90643580
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC NameN-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2ccccc2)cc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C23H24N4O2.ClH/c28-23(26-20-10-8-19(9-11-20)18-5-2-1-3-6-18)27-14-13-25-15-21(27)17-29-22-7-4-12-24-16-22;/h1-12,16,21,25H,13-15,17H2,(H,26,28);1H
InChIKeyFVFZBMMMHMDOMU-UHFFFAOYSA-N
XLogP4.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636
N-(4-benzoylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797042
N-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643565
2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride
CID 66797414
N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796663
tert-butyl 4-(phenylcarbamoyl)-3-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;N-phenyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 162002772
phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
CID 90643561
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796493
N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878232
N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 59671498

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (CID 90643580) is N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(-c2ccccc2)cc1)N1CCNCC1COc1cccnc1.
What is the InChIKey of N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is FVFZBMMMHMDOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.ClH/c28-23(26-20-10-8-19(9-11-20)18-5-2-1-3-6-18)27-14-13-25-15-21(27)17-29-22-7-4-12-24-16-22;/h1-12,16,21,25H,13-15,17H2,(H,26,28);1H.
What are the key properties of N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 424.93 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 90643580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).