2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone

C15H26N2O — CID 89459187

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CC3CCC2C3)CC1
InChIInChI=1S/C15H26N2O/c1-11(2)16-7-5-13(6-8-16)15(18)17-10-12-3-4-14(17)9-12/h11-14H,3-10H2,1-2H3
InChIKeyIDTOFMPSBCWIFC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.12
Rot. Bonds2

About 2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone

2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone (PubChem CID 89459187) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone
PubChem CID89459187
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CC3CCC2C3)CC1
InChIInChI=1S/C15H26N2O/c1-11(2)16-7-5-13(6-8-16)15(18)17-10-12-3-4-14(17)9-12/h11-14H,3-10H2,1-2H3
InChIKeyIDTOFMPSBCWIFC-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone
CID 130708819
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone
CID 129375092
(3-aminocyclopentyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 66009836
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-bromopropan-1-one
CID 107905003
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 116654809
(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one
CID 79012311
(6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone
CID 177247408
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
[3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 70650528
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one
CID 79191629

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone (CID 89459187) is 2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone is CC(C)N1CCC(C(=O)N2CC3CCC2C3)CC1.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone?
The InChIKey is IDTOFMPSBCWIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)16-7-5-13(6-8-16)15(18)17-10-12-3-4-14(17)9-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone has a molecular weight of 250.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 89459187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).