(2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide

C24H25FN4O3 — CID 158332448

IUPAC(2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide
SMILESC=CCn1cc(C(=O)N2CCN(c3ccc(F)cc3)C[C@@H]2C(N)=O)c2c(c1=O)CC(C)=C2
InChIInChI=1S/C24H25FN4O3/c1-3-8-28-13-20(18-11-15(2)12-19(18)23(28)31)24(32)29-10-9-27(14-21(29)22(26)30)17-6-4-16(25)5-7-17/h3-7,11,13,21H,1,8-10,12,14H2,2H3,(H2,26,30)/t21-/m1/s1
InChIKeyPOFMNOSYEXOSII-OAQYLSRUSA-N
MW436.49 g/mol
LogP1.95
Rot. Bonds5

About (2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide

(2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide (PubChem CID 158332448) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is (2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide
PubChem CID158332448
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name(2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide
SMILESC=CCn1cc(C(=O)N2CCN(c3ccc(F)cc3)C[C@@H]2C(N)=O)c2c(c1=O)CC(C)=C2
InChIInChI=1S/C24H25FN4O3/c1-3-8-28-13-20(18-11-15(2)12-19(18)23(28)31)24(32)29-10-9-27(14-21(29)22(26)30)17-6-4-16(25)5-7-17/h3-7,11,13,21H,1,8-10,12,14H2,2H3,(H2,26,30)/t21-/m1/s1
InChIKeyPOFMNOSYEXOSII-OAQYLSRUSA-N
XLogP1.95
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 175661563
1-[(E)-2-(2,5-dimethyl-1H-pyrrol-3-yl)-3-[formyl(prop-2-enyl)amino]prop-2-enoyl]-4-(4-fluorophenyl)piperazine-2-carboxamide;ethane
CID 145081531
2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide
CID 163845159
4-(4-fluorophenyl)-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-2-carboxamide
CID 175661343
4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid
CID 66509723
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione
CID 9207226
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
(2S)-1-acetyl-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide
CID 125001338
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
4-[(3S,5R)-3,5-dimethyl-4-prop-2-enylpiperazin-1-yl]benzoic acid
CID 90033167
1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110152315
4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide
CID 88694308

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide (CID 158332448) is (2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide is C=CCn1cc(C(=O)N2CCN(c3ccc(F)cc3)C[C@@H]2C(N)=O)c2c(c1=O)CC(C)=C2.
What is the InChIKey of (2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is POFMNOSYEXOSII-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-3-8-28-13-20(18-11-15(2)12-19(18)23(28)31)24(32)29-10-9-27(14-21(29)22(26)30)17-6-4-16(25)5-7-17/h3-7,11,13,21H,1,8-10,12,14H2,2H3,(H2,26,30)/t21-/m1/s1.
What are the key properties of (2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide?
(2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-fluorophenyl)-1-(6-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 158332448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).