3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one

C15H27N3O — CID 62740541

IUPAC3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one
SMILESCCCNC1CC2CCC(C1)N2C1CCCNC1=O
InChIInChI=1S/C15H27N3O/c1-2-7-16-11-9-12-5-6-13(10-11)18(12)14-4-3-8-17-15(14)19/h11-14,16H,2-10H2,1H3,(H,17,19)
InChIKeyUBJGJIPOSYMXMH-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.26
Rot. Bonds4

About 3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one

3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one (PubChem CID 62740541) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one.

Molecular Properties

Compound Name3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one
PubChem CID62740541
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one
SMILESCCCNC1CC2CCC(C1)N2C1CCCNC1=O
InChIInChI=1S/C15H27N3O/c1-2-7-16-11-9-12-5-6-13(10-11)18(12)14-4-3-8-17-15(14)19/h11-14,16H,2-10H2,1H3,(H,17,19)
InChIKeyUBJGJIPOSYMXMH-UHFFFAOYSA-N
XLogP1.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-methylcyclopentyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63281615
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83024323
N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740549
8-(1-ethylpiperidin-3-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738636
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
3-(pentylamino)piperidin-2-one
CID 62093756
1-[4-(propylamino)cyclohexyl]piperidine-2,6-dione
CID 43653820
N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739307
1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
CID 43653818
8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738581
3-(dodecylamino)piperidin-2-one
CID 63492267

Frequently Asked Questions

What is the IUPAC name of 3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one?
The IUPAC name of 3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one (CID 62740541) is 3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one.
What is the SMILES notation for 3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one?
The canonical SMILES for 3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one is CCCNC1CC2CCC(C1)N2C1CCCNC1=O.
What is the InChIKey of 3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one?
The InChIKey is UBJGJIPOSYMXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-7-16-11-9-12-5-6-13(10-11)18(12)14-4-3-8-17-15(14)19/h11-14,16H,2-10H2,1H3,(H,17,19).
What are the key properties of 3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one?
3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one has a molecular weight of 265.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]piperidin-2-one is sourced from PubChem (CID 62740541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).