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

C16H24N2O2 — CID 159061032

IUPACN-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide
SMILESCC(C)N1CCC(C)(NC(=O)C2=CC(=O)C=CC2)CC1
InChIInChI=1S/C16H24N2O2/c1-12(2)18-9-7-16(3,8-10-18)17-15(20)13-5-4-6-14(19)11-13/h4,6,11-12H,5,7-10H2,1-3H3,(H,17,20)
InChIKeyIVVBLSSGWXKPBD-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.82
Rot. Bonds3

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

N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide (PubChem CID 159061032) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide
PubChem CID159061032
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide
SMILESCC(C)N1CCC(C)(NC(=O)C2=CC(=O)C=CC2)CC1
InChIInChI=1S/C16H24N2O2/c1-12(2)18-9-7-16(3,8-10-18)17-15(20)13-5-4-6-14(19)11-13/h4,6,11-12H,5,7-10H2,1-3H3,(H,17,20)
InChIKeyIVVBLSSGWXKPBD-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide?
The IUPAC name of N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide (CID 159061032) is N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide.
What is the SMILES notation for N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide?
The canonical SMILES for N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide is CC(C)N1CCC(C)(NC(=O)C2=CC(=O)C=CC2)CC1.
What is the InChIKey of N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide?
The InChIKey is IVVBLSSGWXKPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)18-9-7-16(3,8-10-18)17-15(20)13-5-4-6-14(19)11-13/h4,6,11-12H,5,7-10H2,1-3H3,(H,17,20).
What are the key properties of N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide?
N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide is sourced from PubChem (CID 159061032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).