morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone

C22H27N3O2 — CID 4226568

IUPACmorpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone
SMILESCC12CCC(c3c(C(=O)N4CCOCC4)nn(-c4ccccc4)c31)C2(C)C
InChIInChI=1S/C22H27N3O2/c1-21(2)16-9-10-22(21,3)19-17(16)18(20(26)24-11-13-27-14-12-24)23-25(19)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyLPPFLTHBSKJODI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.52
Rot. Bonds2

About morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone

morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone (PubChem CID 4226568) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone
PubChem CID4226568
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Namemorpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone
SMILESCC12CCC(c3c(C(=O)N4CCOCC4)nn(-c4ccccc4)c31)C2(C)C
InChIInChI=1S/C22H27N3O2/c1-21(2)16-9-10-22(21,3)19-17(16)18(20(26)24-11-13-27-14-12-24)23-25(19)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyLPPFLTHBSKJODI-UHFFFAOYSA-N
XLogP3.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone?
The IUPAC name of morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone (CID 4226568) is morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone?
The canonical SMILES for morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone is CC12CCC(c3c(C(=O)N4CCOCC4)nn(-c4ccccc4)c31)C2(C)C.
What is the InChIKey of morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone?
The InChIKey is LPPFLTHBSKJODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-21(2)16-9-10-22(21,3)19-17(16)18(20(26)24-11-13-27-14-12-24)23-25(19)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3.
What are the key properties of morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone?
morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone has a molecular weight of 365.48 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)methanone is sourced from PubChem (CID 4226568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).