4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide

C18H30N2O2 — CID 2941915

IUPAC4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NCCN3CCCCC3)(CC1=O)C2(C)C
InChIInChI=1S/C18H30N2O2/c1-16(2)17(3)7-8-18(16,13-14(17)21)15(22)19-9-12-20-10-5-4-6-11-20/h4-13H2,1-3H3,(H,19,22)
InChIKeyXJAIXLYFCYJXRN-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.37
Rot. Bonds4

About 4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide

4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2941915) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2941915
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NCCN3CCCCC3)(CC1=O)C2(C)C
InChIInChI=1S/C18H30N2O2/c1-16(2)17(3)7-8-18(16,13-14(17)21)15(22)19-9-12-20-10-5-4-6-11-20/h4-13H2,1-3H3,(H,19,22)
InChIKeyXJAIXLYFCYJXRN-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide with MolForge

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Related Compounds

1,7,7-Trimethyl-4-[(2-methylpiperidin-1-yl)carbonyl]bicyclo[2.2.1]heptan-2-one
CID 2921296
1,7,7-Trimethyl-4-[(3-methylpiperidin-1-yl)carbonyl]bicyclo[2.2.1]heptan-2-one
CID 2921570
4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2898030
N-(2,2,6,6-tetramethyl(4-piperidyl))(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptyl)carboxamide
CID 2920504
1,7,7-Trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 2897994
4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
CID 2920621
N-(3-methoxypropyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2950562
N-cyclopentyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2974492
4,7,7-trimethyl-N-[3-(morpholin-4-yl)propyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2928778
(1S,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 2898016
N-cyclohexyl-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxamide
CID 2930121
4,7,7-Trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide
CID 2951443

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide (CID 2941915) is 4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)NCCN3CCCCC3)(CC1=O)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is XJAIXLYFCYJXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-16(2)17(3)7-8-18(16,13-14(17)21)15(22)19-9-12-20-10-5-4-6-11-20/h4-13H2,1-3H3,(H,19,22).
What are the key properties of 4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide?
4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2941915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).