(6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone

C18H32N2O — CID 177247408

IUPAC(6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)C1C2CC1CN(C(=O)C1CCN(C(C)C)CC1)C2
InChIInChI=1S/C18H32N2O/c1-12(2)17-15-9-16(17)11-20(10-15)18(21)14-5-7-19(8-6-14)13(3)4/h12-17H,5-11H2,1-4H3
InChIKeyOPKCXIUTGKTTKO-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.86
Rot. Bonds3

About (6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone

(6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone (PubChem CID 177247408) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is (6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone
PubChem CID177247408
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name(6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)C1C2CC1CN(C(=O)C1CCN(C(C)C)CC1)C2
InChIInChI=1S/C18H32N2O/c1-12(2)17-15-9-16(17)11-20(10-15)18(21)14-5-7-19(8-6-14)13(3)4/h12-17H,5-11H2,1-4H3
InChIKeyOPKCXIUTGKTTKO-UHFFFAOYSA-N
XLogP2.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone?
The IUPAC name of (6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone (CID 177247408) is (6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for (6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for (6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone is CC(C)C1C2CC1CN(C(=O)C1CCN(C(C)C)CC1)C2.
What is the InChIKey of (6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone?
The InChIKey is OPKCXIUTGKTTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-12(2)17-15-9-16(17)11-20(10-15)18(21)14-5-7-19(8-6-14)13(3)4/h12-17H,5-11H2,1-4H3.
What are the key properties of (6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone?
(6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone has a molecular weight of 292.47 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 177247408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).