1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide

C19H26FN3O2 — CID 77089234

IUPAC1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1(C(=O)NCCCN1CCNC(=O)C1)c1ccccc1F
InChIInChI=1S/C19H26FN3O2/c1-18(2)13-19(18,14-6-3-4-7-15(14)20)17(25)22-8-5-10-23-11-9-21-16(24)12-23/h3-4,6-7H,5,8-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRBXGMHSNFKSOIW-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.43
Rot. Bonds6

About 1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 77089234) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID77089234
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1(C(=O)NCCCN1CCNC(=O)C1)c1ccccc1F
InChIInChI=1S/C19H26FN3O2/c1-18(2)13-19(18,14-6-3-4-7-15(14)20)17(25)22-8-5-10-23-11-9-21-16(24)12-23/h3-4,6-7H,5,8-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRBXGMHSNFKSOIW-UHFFFAOYSA-N
XLogP1.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 118770928
5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide
CID 118790185
2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide
CID 118769580
(1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 126428940
4-(3-hydroxy-3-methylbutyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 56896027
2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 118792289
1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
CID 110437610
2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 74245117
N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 74232639
1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 119393727
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 16673287

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide (CID 77089234) is 1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide is CC1(C)CC1(C(=O)NCCCN1CCNC(=O)C1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is RBXGMHSNFKSOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-18(2)13-19(18,14-6-3-4-7-15(14)20)17(25)22-8-5-10-23-11-9-21-16(24)12-23/h3-4,6-7H,5,8-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 77089234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).