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

C18H22N4O3 — CID 24878232

IUPACN-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCNCC1COc1cccnc1
InChIInChI=1S/C18H22N4O3/c1-24-17-7-3-2-6-16(17)21-18(23)22-10-9-20-11-14(22)13-25-15-5-4-8-19-12-15/h2-8,12,14,20H,9-11,13H2,1H3,(H,21,23)
InChIKeyMVFCNIVEYKZPMP-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.97
Rot. Bonds5

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

N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide (PubChem CID 24878232) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
PubChem CID24878232
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCNCC1COc1cccnc1
InChIInChI=1S/C18H22N4O3/c1-24-17-7-3-2-6-16(17)21-18(23)22-10-9-20-11-14(22)13-25-15-5-4-8-19-12-15/h2-8,12,14,20H,9-11,13H2,1H3,(H,21,23)
InChIKeyMVFCNIVEYKZPMP-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-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796663
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796493
N-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565
N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643580
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-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643565
N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797153
(2-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate
CID 24878113
phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
CID 90643561
2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
CID 66797340

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide (CID 24878232) is N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCNCC1COc1cccnc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The InChIKey is MVFCNIVEYKZPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-17-7-3-2-6-16(17)21-18(23)22-10-9-20-11-14(22)13-25-15-5-4-8-19-12-15/h2-8,12,14,20H,9-11,13H2,1H3,(H,21,23).
What are the key properties of N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
N-(2-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-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide is sourced from PubChem (CID 24878232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).