1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one

C17H27NO2 — CID 2921296

IUPAC1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1CCCCN1C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C17H27NO2/c1-12-7-5-6-10-18(12)14(20)17-9-8-16(4,13(19)11-17)15(17,2)3/h12H,5-11H2,1-4H3
InChIKeyYEGMPKMZVATEJJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds1

About 1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one

1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 2921296) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
PubChem CID2921296
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1CCCCN1C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C17H27NO2/c1-12-7-5-6-10-18(12)14(20)17-9-8-16(4,13(19)11-17)15(17,2)3/h12H,5-11H2,1-4H3
InChIKeyYEGMPKMZVATEJJ-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 663239
1,7,7-Trimethyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]bicyclo[2.2.1]heptan-2-one
CID 2928834
(1R,4R)-4,7,7-trimethyl-3-oxo-N-(2-(piperidin-1-yl)ethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 2941915
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
4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethyl-4-piperidinyl)bicyclo[2.2.1]heptane-1-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
1,7,7-trimethyl-N,N-bis(2-methylpropyl)-2-oxo-4-bicyclo[2.2.1]heptanecarboxamide
CID 2927570
N-cyclopentyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2974492
(1S,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 2898016
(1S,4R)-1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 2897977

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (CID 2921296) is 1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is CC1CCCCN1C(=O)C12CCC(C)(C(=O)C1)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is YEGMPKMZVATEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-7-5-6-10-18(12)14(20)17-9-8-16(4,13(19)11-17)15(17,2)3/h12H,5-11H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 277.41 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-4-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 2921296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).