N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide

C20H26FN5O2 — CID 60585524

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C20H26FN5O2/c1-3-25(14-16-5-4-6-17(21)13-16)19(27)15-24-9-11-26(12-10-24)20-22-8-7-18(23-20)28-2/h4-8,13H,3,9-12,14-15H2,1-2H3
InChIKeyAROSKGBCCBGBPI-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.79
Rot. Bonds7

About N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide

N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 60585524) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID60585524
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C20H26FN5O2/c1-3-25(14-16-5-4-6-17(21)13-16)19(27)15-24-9-11-26(12-10-24)20-22-8-7-18(23-20)28-2/h4-8,13H,3,9-12,14-15H2,1-2H3
InChIKeyAROSKGBCCBGBPI-UHFFFAOYSA-N
XLogP1.79
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 134031963
N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
CID 47528353
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 22617927
N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
CID 47073306
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 55680100
N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 17448855
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 166604747
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 94447840
tert-butyl N-[1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 52682416
N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 126786115
N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid
CID 651792

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide (CID 60585524) is N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide is CCN(Cc1cccc(F)c1)C(=O)CN1CCN(c2nccc(OC)n2)CC1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is AROSKGBCCBGBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-3-25(14-16-5-4-6-17(21)13-16)19(27)15-24-9-11-26(12-10-24)20-22-8-7-18(23-20)28-2/h4-8,13H,3,9-12,14-15H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 60585524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).