3-(azocan-1-yl)piperidin-2-one

C12H22N2O — CID 90761480

IUPAC3-(azocan-1-yl)piperidin-2-one
SMILESO=C1NCCCC1N1CCCCCCC1
InChIInChI=1S/C12H22N2O/c15-12-11(7-6-8-13-12)14-9-4-2-1-3-5-10-14/h11H,1-10H2,(H,13,15)
InChIKeyUAXXJLJNZZUTFA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.53
Rot. Bonds1

About 3-(azocan-1-yl)piperidin-2-one

3-(azocan-1-yl)piperidin-2-one (PubChem CID 90761480) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(azocan-1-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(azocan-1-yl)piperidin-2-one
PubChem CID90761480
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(azocan-1-yl)piperidin-2-one
SMILESO=C1NCCCC1N1CCCCCCC1
InChIInChI=1S/C12H22N2O/c15-12-11(7-6-8-13-12)14-9-4-2-1-3-5-10-14/h11H,1-10H2,(H,13,15)
InChIKeyUAXXJLJNZZUTFA-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione
CID 11450995
(3S)-3-[(3S)-3-hydroxypiperidin-1-yl]piperidin-2-one
CID 129349004
(3R)-3-[(3S)-3-hydroxypiperidin-1-yl]piperidin-2-one
CID 129349003
3-[4-(2-chlorophenyl)piperazin-1-yl]azepan-2-one
CID 17426374
3-[3-(methylamino)pyrrolidin-1-yl]azepan-2-one
CID 115300701
3-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]azepan-2-one
CID 102682962
(3S)-3-(azepan-1-yl)pyrrolidine-2,5-dione
CID 98139557
3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one
CID 102850218
3-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]azepan-2-one
CID 63343636
3-(3-methyl-4-oxopiperidin-1-yl)azepan-2-one
CID 114500316
3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]piperidin-2-one
CID 172891114
2-piperidin-1-ylcyclopentan-1-one
CID 15566705

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)piperidin-2-one?
The IUPAC name of 3-(azocan-1-yl)piperidin-2-one (CID 90761480) is 3-(azocan-1-yl)piperidin-2-one.
What is the SMILES notation for 3-(azocan-1-yl)piperidin-2-one?
The canonical SMILES for 3-(azocan-1-yl)piperidin-2-one is O=C1NCCCC1N1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)piperidin-2-one?
The InChIKey is UAXXJLJNZZUTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12-11(7-6-8-13-12)14-9-4-2-1-3-5-10-14/h11H,1-10H2,(H,13,15).
What are the key properties of 3-(azocan-1-yl)piperidin-2-one?
3-(azocan-1-yl)piperidin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)piperidin-2-one is sourced from PubChem (CID 90761480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).