3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone

C13H22N2O2 — CID 102647008

IUPAC3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone
SMILESCN1CCCN(C)C(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C13H22N2O2/c1-14-7-5-8-15(2)11(10-14)13(16)12-6-3-4-9-17-12/h6,11H,3-5,7-10H2,1-2H3
InChIKeyODCDDCDEUOTUSB-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.89
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone (PubChem CID 102647008) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone
PubChem CID102647008
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone
SMILESCN1CCCN(C)C(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C13H22N2O2/c1-14-7-5-8-15(2)11(10-14)13(16)12-6-3-4-9-17-12/h6,11H,3-5,7-10H2,1-2H3
InChIKeyODCDDCDEUOTUSB-UHFFFAOYSA-N
XLogP0.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone (CID 102647008) is 3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone is CN1CCCN(C)C(C(=O)C2=CCCCO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone?
The InChIKey is ODCDDCDEUOTUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14-7-5-8-15(2)11(10-14)13(16)12-6-3-4-9-17-12/h6,11H,3-5,7-10H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone is sourced from PubChem (CID 102647008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).