3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide

C16H24N2O2 — CID 157300461

IUPAC3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESC=C1CCC(NC(=O)C23CC(C(C)(C)C)(C2)C3)C(=O)N1
InChIInChI=1S/C16H24N2O2/c1-10-5-6-11(12(19)17-10)18-13(20)15-7-16(8-15,9-15)14(2,3)4/h11H,1,5-9H2,2-4H3,(H,17,19)(H,18,20)
InChIKeyBBVMUQOCNLYWGI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds2

About 3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide

3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 157300461) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID157300461
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESC=C1CCC(NC(=O)C23CC(C(C)(C)C)(C2)C3)C(=O)N1
InChIInChI=1S/C16H24N2O2/c1-10-5-6-11(12(19)17-10)18-13(20)15-7-16(8-15,9-15)14(2,3)4/h11H,1,5-9H2,2-4H3,(H,17,19)(H,18,20)
InChIKeyBBVMUQOCNLYWGI-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Related Compounds

ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide;molecular hydrogen
CID 142558098
ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
CID 170748956
N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide
CID 142558099
4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide
CID 145398830
1-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 167647096
N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
CID 170748957

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide (CID 157300461) is 3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide is C=C1CCC(NC(=O)C23CC(C(C)(C)C)(C2)C3)C(=O)N1.
What is the InChIKey of 3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is BBVMUQOCNLYWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-5-6-11(12(19)17-10)18-13(20)15-7-16(8-15,9-15)14(2,3)4/h11H,1,5-9H2,2-4H3,(H,17,19)(H,18,20).
What are the key properties of 3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 157300461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).