2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide

C20H30FN3O2 — CID 56897419

IUPAC2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
SMILESCC(C)CN(C(=O)CC1C(=O)NCCN1Cc1ccccc1F)C(C)C
InChIInChI=1S/C20H30FN3O2/c1-14(2)12-24(15(3)4)19(25)11-18-20(26)22-9-10-23(18)13-16-7-5-6-8-17(16)21/h5-8,14-15,18H,9-13H2,1-4H3,(H,22,26)
InChIKeyIMPZUCOHMXUVJT-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.41
Rot. Bonds7

About 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide

2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide (PubChem CID 56897419) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
PubChem CID56897419
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
SMILESCC(C)CN(C(=O)CC1C(=O)NCCN1Cc1ccccc1F)C(C)C
InChIInChI=1S/C20H30FN3O2/c1-14(2)12-24(15(3)4)19(25)11-18-20(26)22-9-10-23(18)13-16-7-5-6-8-17(16)21/h5-8,14-15,18H,9-13H2,1-4H3,(H,22,26)
InChIKeyIMPZUCOHMXUVJT-UHFFFAOYSA-N
XLogP2.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2997439
N-butyl-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45230540
methyl 2-[[2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]-methylamino]acetate
CID 45242481
N-butyl-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95720529
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 24817386
N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56903638
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 56902461
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide
CID 45188958
N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95708333
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45198435
2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
CID 45247520
N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45209913

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide (CID 56897419) is 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide is CC(C)CN(C(=O)CC1C(=O)NCCN1Cc1ccccc1F)C(C)C.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide?
The InChIKey is IMPZUCOHMXUVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-14(2)12-24(15(3)4)19(25)11-18-20(26)22-9-10-23(18)13-16-7-5-6-8-17(16)21/h5-8,14-15,18H,9-13H2,1-4H3,(H,22,26).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide?
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide has a molecular weight of 363.48 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 56897419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).