2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide

C18H24FN3O2 — CID 46970496

IUPAC2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide
SMILESCC1(NC(=O)CC2C(=O)NCCN2Cc2cccc(F)c2)CCC1
InChIInChI=1S/C18H24FN3O2/c1-18(6-3-7-18)21-16(23)11-15-17(24)20-8-9-22(15)12-13-4-2-5-14(19)10-13/h2,4-5,10,15H,3,6-9,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyBNBGPYXVHVQMQE-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.58
Rot. Bonds5

About 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide

2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide (PubChem CID 46970496) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide
PubChem CID46970496
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide
SMILESCC1(NC(=O)CC2C(=O)NCCN2Cc2cccc(F)c2)CCC1
InChIInChI=1S/C18H24FN3O2/c1-18(6-3-7-18)21-16(23)11-15-17(24)20-8-9-22(15)12-13-4-2-5-14(19)10-13/h2,4-5,10,15H,3,6-9,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyBNBGPYXVHVQMQE-UHFFFAOYSA-N
XLogP1.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95725614
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475
3-[[2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]amino]propanamide
CID 95716172
N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45249769
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149
2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95726046
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 45185305
ethyl 4-[2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
CID 45220215
2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 26394507
N-[2-(3-fluorophenyl)ethyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 42393367
4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one
CID 45242447
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 46968283

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide (CID 46970496) is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide is CC1(NC(=O)CC2C(=O)NCCN2Cc2cccc(F)c2)CCC1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide?
The InChIKey is BNBGPYXVHVQMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-18(6-3-7-18)21-16(23)11-15-17(24)20-8-9-22(15)12-13-4-2-5-14(19)10-13/h2,4-5,10,15H,3,6-9,11-12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide?
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide is sourced from PubChem (CID 46970496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).