6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C16H29N3O2 — CID 114945956

IUPAC6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCN1CCCC(N(C)C(=O)C2(N)C3CCOC3C2(C)C)C1
InChIInChI=1S/C16H29N3O2/c1-15(2)13-12(7-9-21-13)16(15,17)14(20)19(4)11-6-5-8-18(3)10-11/h11-13H,5-10,17H2,1-4H3
InChIKeyLVYSTHJQHADMIF-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.68
Rot. Bonds2

About 6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945956) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945956
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCN1CCCC(N(C)C(=O)C2(N)C3CCOC3C2(C)C)C1
InChIInChI=1S/C16H29N3O2/c1-15(2)13-12(7-9-21-13)16(15,17)14(20)19(4)11-6-5-8-18(3)10-11/h11-13H,5-10,17H2,1-4H3
InChIKeyLVYSTHJQHADMIF-UHFFFAOYSA-N
XLogP0.68
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide 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

6-amino-N-cyclobutyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946822
6-amino-N-cyclopropyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945284
7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945102
7-amino-N,8,8-trimethyl-N-(oxan-4-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945462
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)oxolane-3-carboxamide
CID 64892393
6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945178
6-amino-N-(cyclopropylmethyl)-N-ethyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946101
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114945996
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(azocan-1-yl)methanone
CID 114945234
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945095
1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid
CID 114945682

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945956) is 6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CN1CCCC(N(C)C(=O)C2(N)C3CCOC3C2(C)C)C1.
What is the InChIKey of 6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is LVYSTHJQHADMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-15(2)13-12(7-9-21-13)16(15,17)14(20)19(4)11-6-5-8-18(3)10-11/h11-13H,5-10,17H2,1-4H3.
What are the key properties of 6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,7,7-trimethyl-N-(1-methylpiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).