2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide

C21H32FN3O2 — CID 56896629

IUPAC2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccccc1F)C(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C21H32FN3O2/c1-5-11-24(14-16-8-6-7-9-17(16)22)19(26)13-18-20(27)23-10-12-25(18)15-21(2,3)4/h6-9,18H,5,10-15H2,1-4H3,(H,23,27)
InChIKeyALZSWBOBMCUPRH-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.80
Rot. Bonds7

About 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide (PubChem CID 56896629) has the molecular formula C21H32FN3O2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide
PubChem CID56896629
Molecular FormulaC21H32FN3O2
Molecular Weight377.50 g/mol
Exact Mass377.25
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccccc1F)C(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C21H32FN3O2/c1-5-11-24(14-16-8-6-7-9-17(16)22)19(26)13-18-20(27)23-10-12-25(18)15-21(2,3)4/h6-9,18H,5,10-15H2,1-4H3,(H,23,27)
InChIKeyALZSWBOBMCUPRH-UHFFFAOYSA-N
XLogP2.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45230540
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(quinolin-2-ylmethyl)acetamide
CID 45194166
ethyl 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2997439
N,N-diethyl-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95723381
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 24817386
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 56897419
N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide
CID 95714500
N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 45208008
4-(2,2-dimethylpropyl)-3-[2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45213414
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propyl-N-(pyridin-4-ylmethyl)acetamide
CID 56912099
methyl 2-[[2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]-methylamino]acetate
CID 45242481
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide (CID 56896629) is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide is CCCN(Cc1ccccc1F)C(=O)CC1C(=O)NCCN1CC(C)(C)C.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide?
The InChIKey is ALZSWBOBMCUPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2/c1-5-11-24(14-16-8-6-7-9-17(16)22)19(26)13-18-20(27)23-10-12-25(18)15-21(2,3)4/h6-9,18H,5,10-15H2,1-4H3,(H,23,27).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide?
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide has a molecular weight of 377.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide is sourced from PubChem (CID 56896629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).