N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide

C23H30FN3O3 — CID 45190480

IUPACN-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
SMILESC=CCN1CC(C(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)CC1=O
InChIInChI=1S/C23H30FN3O3/c1-2-11-27-16-19(14-22(27)29)23(30)26-12-9-17(10-13-26)5-8-21(28)25-15-18-3-6-20(24)7-4-18/h2-4,6-7,17,19H,1,5,8-16H2,(H,25,28)
InChIKeyYYFKULHJBRRMSA-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.50
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide (PubChem CID 45190480) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
PubChem CID45190480
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
SMILESC=CCN1CC(C(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)CC1=O
InChIInChI=1S/C23H30FN3O3/c1-2-11-27-16-19(14-22(27)29)23(30)26-12-9-17(10-13-26)5-8-21(28)25-15-18-3-6-20(24)7-4-18/h2-4,6-7,17,19H,1,5,8-16H2,(H,25,28)
InChIKeyYYFKULHJBRRMSA-UHFFFAOYSA-N
XLogP2.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 26409623
N-[(4-fluorophenyl)methyl]-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246303
N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
N-[(4-fluorophenyl)methyl]-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 25381636
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 42378837
1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 6497413
1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 50972094
methyl 1-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 6461917
N-(1,1-dioxothiolan-3-yl)-4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 45207766
3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40911327
N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 25451605

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide (CID 45190480) is N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide is C=CCN1CC(C(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)CC1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is YYFKULHJBRRMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3/c1-2-11-27-16-19(14-22(27)29)23(30)26-12-9-17(10-13-26)5-8-21(28)25-15-18-3-6-20(24)7-4-18/h2-4,6-7,17,19H,1,5,8-16H2,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 415.51 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45190480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).