N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride

C23H26Cl2N4O3 — CID 66797636

IUPACN-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C23H24N4O3.2ClH/c28-23(26-18-8-10-21(11-9-18)30-20-5-2-1-3-6-20)27-14-13-25-15-19(27)17-29-22-7-4-12-24-16-22;;/h1-12,16,19,25H,13-15,17H2,(H,26,28);2*1H
InChIKeyVNPHFJBXVACBTC-UHFFFAOYSA-N
MW477.39 g/mol
LogP4.60
Rot. Bonds6

About N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride

N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride (PubChem CID 66797636) has the molecular formula C23H26Cl2N4O3 and a molecular weight of 477.39 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
PubChem CID66797636
Molecular FormulaC23H26Cl2N4O3
Molecular Weight477.39 g/mol
Exact Mass476.14
IUPAC NameN-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C23H24N4O3.2ClH/c28-23(26-18-8-10-21(11-9-18)30-20-5-2-1-3-6-20)27-14-13-25-15-19(27)17-29-22-7-4-12-24-16-22;;/h1-12,16,19,25H,13-15,17H2,(H,26,28);2*1H
InChIKeyVNPHFJBXVACBTC-UHFFFAOYSA-N
XLogP4.60
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643580
2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride
CID 66797414
N-(4-benzoylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797042
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
N-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565
N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643565
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-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride?
The IUPAC name of N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride (CID 66797636) is N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride?
The canonical SMILES for N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCNCC1COc1cccnc1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride?
The InChIKey is VNPHFJBXVACBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3.2ClH/c28-23(26-18-8-10-21(11-9-18)30-20-5-2-1-3-6-20)27-14-13-25-15-19(27)17-29-22-7-4-12-24-16-22;;/h1-12,16,19,25H,13-15,17H2,(H,26,28);2*1H.
What are the key properties of N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride?
N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride has a molecular weight of 477.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 66797636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).