N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide

C18H22N4O3 — CID 24878344

IUPACN-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
InChIInChI=1S/C18H22N4O3/c1-24-16-6-4-14(5-7-16)21-18(23)22-10-9-20-11-15(22)13-25-17-3-2-8-19-12-17/h2-8,12,15,20H,9-11,13H2,1H3,(H,21,23)
InChIKeyKRAYIMPBSYOLTR-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.97
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide

N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide (PubChem CID 24878344) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
PubChem CID24878344
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
InChIInChI=1S/C18H22N4O3/c1-24-16-6-4-14(5-7-16)21-18(23)22-10-9-20-11-15(22)13-25-17-3-2-8-19-12-17/h2-8,12,15,20H,9-11,13H2,1H3,(H,21,23)
InChIKeyKRAYIMPBSYOLTR-UHFFFAOYSA-N
XLogP1.97
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565
N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636
N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643580
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796493
N-(4-benzoylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797042
N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878232
N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643565
2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 24877661
N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 59671498
2-[(3-fluorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide;hydrochloride
CID 66796722
2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride
CID 66797414
N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797153

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide (CID 24878344) is N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The InChIKey is KRAYIMPBSYOLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-16-6-4-14(5-7-16)21-18(23)22-10-9-20-11-15(22)13-25-17-3-2-8-19-12-17/h2-8,12,15,20H,9-11,13H2,1H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide is sourced from PubChem (CID 24878344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).