1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one

C17H27NO2 — CID 2921570

IUPAC1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1CCCN(C(=O)C23CCC(C)(C(=O)C2)C3(C)C)C1
InChIInChI=1S/C17H27NO2/c1-12-6-5-9-18(11-12)14(20)17-8-7-16(4,13(19)10-17)15(17,2)3/h12H,5-11H2,1-4H3
InChIKeyHKIBCRLHCNTBQH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.03
Rot. Bonds1

About 1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one

1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 2921570) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
PubChem CID2921570
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1CCCN(C(=O)C23CCC(C)(C(=O)C2)C3(C)C)C1
InChIInChI=1S/C17H27NO2/c1-12-6-5-9-18(11-12)14(20)17-8-7-16(4,13(19)10-17)15(17,2)3/h12H,5-11H2,1-4H3
InChIKeyHKIBCRLHCNTBQH-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (CID 2921570) is 1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is CC1CCCN(C(=O)C23CCC(C)(C(=O)C2)C3(C)C)C1.
What is the InChIKey of 1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is HKIBCRLHCNTBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-6-5-9-18(11-12)14(20)17-8-7-16(4,13(19)10-17)15(17,2)3/h12H,5-11H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
1,7,7-trimethyl-4-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 277.41 g/mol, XLogP of 3.03, 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-(3-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 2921570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).