(2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

C17H26N4O2 — CID 100900321

IUPAC(2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCC1(C)[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)[C@@H]2CCO[C@H]21
InChIInChI=1S/C17H26N4O2/c1-17(2)13(11-6-10-23-14(11)17)20-16(22)21-9-4-3-5-12(21)15-18-7-8-19-15/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,18,19)(H,20,22)/t11-,12+,13+,14+/m0/s1
InChIKeyKMYUKQKUYYVOHG-REWJHTLYSA-N
MW318.42 g/mol
LogP2.46
Rot. Bonds2

About (2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

(2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 100900321) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID100900321
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCC1(C)[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)[C@@H]2CCO[C@H]21
InChIInChI=1S/C17H26N4O2/c1-17(2)13(11-6-10-23-14(11)17)20-16(22)21-9-4-3-5-12(21)15-18-7-8-19-15/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,18,19)(H,20,22)/t11-,12+,13+,14+/m0/s1
InChIKeyKMYUKQKUYYVOHG-REWJHTLYSA-N
XLogP2.46
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 100900321) is (2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is CC1(C)[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)[C@@H]2CCO[C@H]21.
What is the InChIKey of (2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is KMYUKQKUYYVOHG-REWJHTLYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2)13(11-6-10-23-14(11)17)20-16(22)21-9-4-3-5-12(21)15-18-7-8-19-15/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,18,19)(H,20,22)/t11-,12+,13+,14+/m0/s1.
What are the key properties of (2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
(2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 100900321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).