4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide

C20H24FN3O2 — CID 110086689

IUPAC4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)C1CN(c2ccc(F)cc2)CCN1
InChIInChI=1S/C20H24FN3O2/c1-26-14-16-5-3-2-4-15(16)12-23-20(25)19-13-24(11-10-22-19)18-8-6-17(21)7-9-18/h2-9,19,22H,10-14H2,1H3,(H,23,25)
InChIKeyKYZIWEXTQUJYEX-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.07
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide

4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide (PubChem CID 110086689) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide
PubChem CID110086689
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)C1CN(c2ccc(F)cc2)CCN1
InChIInChI=1S/C20H24FN3O2/c1-26-14-16-5-3-2-4-15(16)12-23-20(25)19-13-24(11-10-22-19)18-8-6-17(21)7-9-18/h2-9,19,22H,10-14H2,1H3,(H,23,25)
InChIKeyKYZIWEXTQUJYEX-UHFFFAOYSA-N
XLogP2.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 110086674
(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
CID 125009047
N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107434801
1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186
N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110086678
2-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065353
N-cyclobutyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086727
N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086700
4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide
CID 127244523
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide
CID 115178001

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide (CID 110086689) is 4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide is COCc1ccccc1CNC(=O)C1CN(c2ccc(F)cc2)CCN1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide?
The InChIKey is KYZIWEXTQUJYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-26-14-16-5-3-2-4-15(16)12-23-20(25)19-13-24(11-10-22-19)18-8-6-17(21)7-9-18/h2-9,19,22H,10-14H2,1H3,(H,23,25).
What are the key properties of 4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide?
4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide is sourced from PubChem (CID 110086689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).