N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide

C20H29FN4O2 — CID 8558075

IUPACN-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
SMILESCC1CCN(CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C20H29FN4O2/c1-16-5-7-23(8-6-16)15-20(27)25-11-9-24(10-12-25)14-19(26)22-18-4-2-3-17(21)13-18/h2-4,13,16H,5-12,14-15H2,1H3,(H,22,26)
InChIKeySARITLPFWUVXEE-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.64
Rot. Bonds5

About N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 8558075) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID8558075
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC NameN-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
SMILESCC1CCN(CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C20H29FN4O2/c1-16-5-7-23(8-6-16)15-20(27)25-11-9-24(10-12-25)14-19(26)22-18-4-2-3-17(21)13-18/h2-4,13,16H,5-12,14-15H2,1H3,(H,22,26)
InChIKeySARITLPFWUVXEE-UHFFFAOYSA-N
XLogP1.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 8711203
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123
2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8558855
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
N-(3-fluorophenyl)-2-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 9225293
N-[2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 9020209
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
N-(3-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020277
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide (CID 8558075) is N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide is CC1CCN(CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is SARITLPFWUVXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2/c1-16-5-7-23(8-6-16)15-20(27)25-11-9-24(10-12-25)14-19(26)22-18-4-2-3-17(21)13-18/h2-4,13,16H,5-12,14-15H2,1H3,(H,22,26).
What are the key properties of N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8558075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).