(3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C20H27N3O2 — CID 16679616

IUPAC(3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc2n3C[C@H](C)NC2=O)CC1
InChIInChI=1S/C20H27N3O2/c1-13(2)22-8-6-16(7-9-22)25-17-4-5-18-15(10-17)11-19-20(24)21-14(3)12-23(18)19/h4-5,10-11,13-14,16H,6-9,12H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyGUBYCKMGWYDLAE-AWEZNQCLSA-N
MW341.46 g/mol
LogP3.02
Rot. Bonds3

About (3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

(3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 16679616) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name(3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID16679616
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc2n3C[C@H](C)NC2=O)CC1
InChIInChI=1S/C20H27N3O2/c1-13(2)22-8-6-16(7-9-22)25-17-4-5-18-15(10-17)11-19-20(24)21-14(3)12-23(18)19/h4-5,10-11,13-14,16H,6-9,12H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyGUBYCKMGWYDLAE-AWEZNQCLSA-N
XLogP3.02
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of (3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 16679616) is (3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for (3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for (3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is CC(C)N1CCC(Oc2ccc3c(c2)cc2n3C[C@H](C)NC2=O)CC1.
What is the InChIKey of (3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is GUBYCKMGWYDLAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13(2)22-8-6-16(7-9-22)25-17-4-5-18-15(10-17)11-19-20(24)21-14(3)12-23(18)19/h4-5,10-11,13-14,16H,6-9,12H2,1-3H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
(3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 341.46 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 16679616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).