1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one

C15H26N2O — CID 102380748

IUPAC1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1C[C@H]1CCC[C@H]2CCCN[C@H]21
InChIInChI=1S/C15H26N2O/c18-14-8-1-2-10-17(14)11-13-6-3-5-12-7-4-9-16-15(12)13/h12-13,15-16H,1-11H2/t12-,13+,15+/m0/s1
InChIKeyARSLSYYPGHBQKL-GZBFAFLISA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds2

About 1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one

1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one (PubChem CID 102380748) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one
PubChem CID102380748
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1C[C@H]1CCC[C@H]2CCCN[C@H]21
InChIInChI=1S/C15H26N2O/c18-14-8-1-2-10-17(14)11-13-6-3-5-12-7-4-9-16-15(12)13/h12-13,15-16H,1-11H2/t12-,13+,15+/m0/s1
InChIKeyARSLSYYPGHBQKL-GZBFAFLISA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one
CID 130600593
1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119931911
1-[(6-methylpiperidin-3-yl)methyl]piperidin-2-one
CID 63008530
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511838
1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one
CID 14756510
9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
CID 19890892
1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119329547
2-cyclohexyl-3-(methoxymethyl)piperidine
CID 105465441
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
N-[(2-hydroxycyclopentyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111471342
1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one
CID 120634417

Frequently Asked Questions

What is the IUPAC name of 1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one (CID 102380748) is 1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one is O=C1CCCCN1C[C@H]1CCC[C@H]2CCCN[C@H]21.
What is the InChIKey of 1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one?
The InChIKey is ARSLSYYPGHBQKL-GZBFAFLISA-N. The full InChI is InChI=1S/C15H26N2O/c18-14-8-1-2-10-17(14)11-13-6-3-5-12-7-4-9-16-15(12)13/h12-13,15-16H,1-11H2/t12-,13+,15+/m0/s1.
What are the key properties of 1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one?
1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one is sourced from PubChem (CID 102380748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).