6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C14H23N3O3 — CID 114945924

IUPAC6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)NC1CCCNC1=O
InChIInChI=1S/C14H23N3O3/c1-13(2)10-8(5-7-20-10)14(13,15)12(19)17-9-4-3-6-16-11(9)18/h8-10H,3-7,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVTRWKSVPMTXTJO-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.48
Rot. Bonds2

About 6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945924) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945924
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)NC1CCCNC1=O
InChIInChI=1S/C14H23N3O3/c1-13(2)10-8(5-7-20-10)14(13,15)12(19)17-9-4-3-6-16-11(9)18/h8-10H,3-7,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVTRWKSVPMTXTJO-UHFFFAOYSA-N
XLogP-0.48
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945924) is 6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC1(C)C2OCCC2C1(N)C(=O)NC1CCCNC1=O.
What is the InChIKey of 6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is VTRWKSVPMTXTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-13(2)10-8(5-7-20-10)14(13,15)12(19)17-9-4-3-6-16-11(9)18/h8-10H,3-7,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 281.36 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).