1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide

C18H23FN2O2 — CID 46067547

IUPAC1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(c2ccc(F)c(C)c2)CN(C(C)=O)C1
InChIInChI=1S/C18H23FN2O2/c1-4-7-20-18(23)16-9-15(10-21(11-16)13(3)22)14-5-6-17(19)12(2)8-14/h4-6,8,15-16H,1,7,9-11H2,2-3H3,(H,20,23)
InChIKeySKZLBSIQCLRESH-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.39
Rot. Bonds4

About 1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide

1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 46067547) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID46067547
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(c2ccc(F)c(C)c2)CN(C(C)=O)C1
InChIInChI=1S/C18H23FN2O2/c1-4-7-20-18(23)16-9-15(10-21(11-16)13(3)22)14-5-6-17(19)12(2)8-14/h4-6,8,15-16H,1,7,9-11H2,2-3H3,(H,20,23)
InChIKeySKZLBSIQCLRESH-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 9815041
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CID 9950970
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CID 44288945
CID 44288945
CID 44289100
CID 44289100
CID 6465738
CID 6465738
CID 86862
CID 86862
CID 16203033
CID 16203033
CID 16204464
CID 16204464
CID 16204465
CID 16204465
CID 23646443
CID 23646443
CID 11085277
CID 11085277
CID 2914347
CID 2914347

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide (CID 46067547) is 1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)C1CC(c2ccc(F)c(C)c2)CN(C(C)=O)C1.
What is the InChIKey of 1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is SKZLBSIQCLRESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-4-7-20-18(23)16-9-15(10-21(11-16)13(3)22)14-5-6-17(19)12(2)8-14/h4-6,8,15-16H,1,7,9-11H2,2-3H3,(H,20,23).
What are the key properties of 1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide?
1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-(4-fluoro-3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 46067547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).