2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide

C16H23FN2O2 — CID 159061033

IUPAC2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)N1CCC(C)(NC(=O)C2=C(F)C=CC(=O)C2)CC1
InChIInChI=1S/C16H23FN2O2/c1-11(2)19-8-6-16(3,7-9-19)18-15(21)13-10-12(20)4-5-14(13)17/h4-5,11H,6-10H2,1-3H3,(H,18,21)
InChIKeyMGXSBQRBBQZWGR-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.12
Rot. Bonds3

About 2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide

2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide (PubChem CID 159061033) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide
PubChem CID159061033
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)N1CCC(C)(NC(=O)C2=C(F)C=CC(=O)C2)CC1
InChIInChI=1S/C16H23FN2O2/c1-11(2)19-8-6-16(3,7-9-19)18-15(21)13-10-12(20)4-5-14(13)17/h4-5,11H,6-10H2,1-3H3,(H,18,21)
InChIKeyMGXSBQRBBQZWGR-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide (CID 159061033) is 2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide is CC(C)N1CCC(C)(NC(=O)C2=C(F)C=CC(=O)C2)CC1.
What is the InChIKey of 2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide?
The InChIKey is MGXSBQRBBQZWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(2)19-8-6-16(3,7-9-19)18-15(21)13-10-12(20)4-5-14(13)17/h4-5,11H,6-10H2,1-3H3,(H,18,21).
What are the key properties of 2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide?
2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-5-oxocyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 159061033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).