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

C17H19FN4O2 — CID 66796663

IUPACN-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H19FN4O2/c18-15-5-1-2-6-16(15)21-17(23)22-9-8-20-10-13(22)12-24-14-4-3-7-19-11-14/h1-7,11,13,20H,8-10,12H2,(H,21,23)
InChIKeyHPUKVBRDAAWIEE-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.11
Rot. Bonds4

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

N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide (PubChem CID 66796663) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
PubChem CID66796663
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H19FN4O2/c18-15-5-1-2-6-16(15)21-17(23)22-9-8-20-10-13(22)12-24-14-4-3-7-19-11-14/h1-7,11,13,20H,8-10,12H2,(H,21,23)
InChIKeyHPUKVBRDAAWIEE-UHFFFAOYSA-N
XLogP2.11
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878232
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-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
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-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565
phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
CID 90643561
2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
CID 66797340
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796493
(2-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate
CID 24878113
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-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide (CID 66796663) is N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide is O=C(Nc1ccccc1F)N1CCNCC1COc1cccnc1.
What is the InChIKey of N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The InChIKey is HPUKVBRDAAWIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-15-5-1-2-6-16(15)21-17(23)22-9-8-20-10-13(22)12-24-14-4-3-7-19-11-14/h1-7,11,13,20H,8-10,12H2,(H,21,23).
What are the key properties of N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide is sourced from PubChem (CID 66796663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).