4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide

C19H26FN3O2 — CID 26409623

IUPAC4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN3O2/c1-2-11-21-19(25)23-12-9-15(10-13-23)5-8-18(24)22-14-16-3-6-17(20)7-4-16/h2-4,6-7,15H,1,5,8-14H2,(H,21,25)(H,22,24)
InChIKeyWPUFCZJPLPCZIK-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.83
Rot. Bonds7

About 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide

4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide (PubChem CID 26409623) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide
PubChem CID26409623
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN3O2/c1-2-11-21-19(25)23-12-9-15(10-13-23)5-8-18(24)22-14-16-3-6-17(20)7-4-16/h2-4,6-7,15H,1,5,8-14H2,(H,21,25)(H,22,24)
InChIKeyWPUFCZJPLPCZIK-UHFFFAOYSA-N
XLogP2.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-phenylethyl)piperidine-1-carboxamide
CID 42378837
N-(1,1-dioxothiolan-3-yl)-4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 45207766
N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 45190480
N-[(4-fluorophenyl)methyl]-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246303
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
N-[(4-fluorophenyl)methyl]-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 25381636
N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide
CID 97278133
3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 26392293
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
3-(4-fluorophenyl)-N-prop-2-enylazepane-1-carboxamide
CID 90608883
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 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide (CID 26409623) is 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide is C=CCNC(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide?
The InChIKey is WPUFCZJPLPCZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-2-11-21-19(25)23-12-9-15(10-13-23)5-8-18(24)22-14-16-3-6-17(20)7-4-16/h2-4,6-7,15H,1,5,8-14H2,(H,21,25)(H,22,24).
What are the key properties of 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide?
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide is sourced from PubChem (CID 26409623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).