2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide

C30H33N3O2 — CID 139683458

IUPAC2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1c2n(c3ccccc13)CCCO2)NCC1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C30H33N3O2/c34-29(19-27-26-11-3-4-12-28(26)33-15-6-18-35-30(27)33)31-20-22-13-16-32(17-14-22)21-24-9-5-8-23-7-1-2-10-25(23)24/h1-5,7-12,22H,6,13-21H2,(H,31,34)
InChIKeyRWHHNHASJSGOBF-UHFFFAOYSA-N
MW467.61 g/mol
LogP5.15
Rot. Bonds6

About 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide

2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 139683458) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID139683458
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1c2n(c3ccccc13)CCCO2)NCC1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C30H33N3O2/c34-29(19-27-26-11-3-4-12-28(26)33-15-6-18-35-30(27)33)31-20-22-13-16-32(17-14-22)21-24-9-5-8-23-7-1-2-10-25(23)24/h1-5,7-12,22H,6,13-21H2,(H,31,34)
InChIKeyRWHHNHASJSGOBF-UHFFFAOYSA-N
XLogP5.15
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 139683458) is 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide is O=C(Cc1c2n(c3ccccc13)CCCO2)NCC1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is RWHHNHASJSGOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c34-29(19-27-26-11-3-4-12-28(26)33-15-6-18-35-30(27)33)31-20-22-13-16-32(17-14-22)21-24-9-5-8-23-7-1-2-10-25(23)24/h1-5,7-12,22H,6,13-21H2,(H,31,34).
What are the key properties of 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 467.61 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 139683458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).