(6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

C16H26N2O2 — CID 24882128

IUPAC(6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESC[C@@H]1C[C@H](C[C@@H]2CCCC(=O)N2)N2C(=O)CCC[C@H]2C1
InChIInChI=1S/C16H26N2O2/c1-11-8-13-5-3-7-16(20)18(13)14(9-11)10-12-4-2-6-15(19)17-12/h11-14H,2-10H2,1H3,(H,17,19)/t11-,12-,13-,14+/m0/s1
InChIKeyBKORLZUEHBZKFV-XDQVBPFNSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds2

About (6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

(6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (PubChem CID 24882128) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.

Molecular Properties

Compound Name(6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
PubChem CID24882128
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESC[C@@H]1C[C@H](C[C@@H]2CCCC(=O)N2)N2C(=O)CCC[C@H]2C1
InChIInChI=1S/C16H26N2O2/c1-11-8-13-5-3-7-16(20)18(13)14(9-11)10-12-4-2-6-15(19)17-12/h11-14H,2-10H2,1H3,(H,17,19)/t11-,12-,13-,14+/m0/s1
InChIKeyBKORLZUEHBZKFV-XDQVBPFNSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one with MolForge

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Related Compounds

(5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11367214
7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one
CID 70504504
8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 118636069
5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 104687080
6-(iodomethyl)piperidin-2-one
CID 10933573
(1R,7S,9R,11S,13S,17S)-11-methyl-17-oxido-2-aza-17-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-3-one
CID 163194231
2-[(2S)-6-oxopiperidin-2-yl]acetyl chloride
CID 57043541
6-(methylaminomethyl)piperidin-2-one;dihydrobromide
CID 138059127
11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one
CID 162907535
(6S,7R,8R,9aS)-7,8-dihydroxy-6-(hydroxymethyl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 42640181
6-methylpiperidin-2-one;propane
CID 142225224
(6S)-6-(phosphanyloxymethyl)piperidin-2-one
CID 142175723

Frequently Asked Questions

What is the IUPAC name of (6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The IUPAC name of (6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (CID 24882128) is (6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.
What is the SMILES notation for (6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The canonical SMILES for (6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is C[C@@H]1C[C@H](C[C@@H]2CCCC(=O)N2)N2C(=O)CCC[C@H]2C1.
What is the InChIKey of (6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The InChIKey is BKORLZUEHBZKFV-XDQVBPFNSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-8-13-5-3-7-16(20)18(13)14(9-11)10-12-4-2-6-15(19)17-12/h11-14H,2-10H2,1H3,(H,17,19)/t11-,12-,13-,14+/m0/s1.
What are the key properties of (6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
(6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one has a molecular weight of 278.40 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is sourced from PubChem (CID 24882128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).