(3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole

C17H23N3O — CID 176910061

IUPAC(3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
SMILESC[C@H]1CCC(c2ccc3c(c2)nc2n3C[C@H](C)OC2)NC1
InChIInChI=1S/C17H23N3O/c1-11-3-5-14(18-8-11)13-4-6-16-15(7-13)19-17-10-21-12(2)9-20(16)17/h4,6-7,11-12,14,18H,3,5,8-10H2,1-2H3/t11-,12-,14?/m0/s1
InChIKeyIPPZDFSAZZOADN-VHBIQUBJSA-N
MW285.39 g/mol
LogP3.02
Rot. Bonds1

About (3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole

(3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole (PubChem CID 176910061) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole.

Molecular Properties

Compound Name(3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
PubChem CID176910061
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
SMILESC[C@H]1CCC(c2ccc3c(c2)nc2n3C[C@H](C)OC2)NC1
InChIInChI=1S/C17H23N3O/c1-11-3-5-14(18-8-11)13-4-6-16-15(7-13)19-17-10-21-12(2)9-20(16)17/h4,6-7,11-12,14,18H,3,5,8-10H2,1-2H3/t11-,12-,14?/m0/s1
InChIKeyIPPZDFSAZZOADN-VHBIQUBJSA-N
XLogP3.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
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-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole?
The IUPAC name of (3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole (CID 176910061) is (3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole.
What is the SMILES notation for (3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole?
The canonical SMILES for (3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole is C[C@H]1CCC(c2ccc3c(c2)nc2n3C[C@H](C)OC2)NC1.
What is the InChIKey of (3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole?
The InChIKey is IPPZDFSAZZOADN-VHBIQUBJSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-3-5-14(18-8-11)13-4-6-16-15(7-13)19-17-10-21-12(2)9-20(16)17/h4,6-7,11-12,14,18H,3,5,8-10H2,1-2H3/t11-,12-,14?/m0/s1.
What are the key properties of (3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole?
(3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole has a molecular weight of 285.39 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole is sourced from PubChem (CID 176910061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).