1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide

C18H24FN3O2 — CID 50950236

IUPAC1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCN(Cc1ccc(F)cc1)C(=O)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C18H24FN3O2/c1-2-9-22(12-14-3-5-16(19)6-4-14)18(24)15-7-10-21(11-8-15)13-17(20)23/h2-6,15H,1,7-13H2,(H2,20,23)
InChIKeyGCSDHYWKNRIMAI-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.54
Rot. Bonds7

About 1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 50950236) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID50950236
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCN(Cc1ccc(F)cc1)C(=O)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C18H24FN3O2/c1-2-9-22(12-14-3-5-16(19)6-4-14)18(24)15-7-10-21(11-8-15)13-17(20)23/h2-6,15H,1,7-13H2,(H2,20,23)
InChIKeyGCSDHYWKNRIMAI-UHFFFAOYSA-N
XLogP1.54
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide (CID 50950236) is 1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide is C=CCN(Cc1ccc(F)cc1)C(=O)C1CCN(CC(N)=O)CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is GCSDHYWKNRIMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-2-9-22(12-14-3-5-16(19)6-4-14)18(24)15-7-10-21(11-8-15)13-17(20)23/h2-6,15H,1,7-13H2,(H2,20,23).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 50950236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).