morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone

C21H25N3O2 — CID 5156346

IUPACmorpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone
SMILESCC12CCC(C(=O)N3CCOCC3)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C21H25N3O2/c1-19(2)20(3)8-9-21(19,18(25)24-10-12-26-13-11-24)17-16(20)22-14-6-4-5-7-15(14)23-17/h4-7H,8-13H2,1-3H3
InChIKeyOLAKYUULCCSEOY-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.82
Rot. Bonds1

About morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone

morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone (PubChem CID 5156346) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone
PubChem CID5156346
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Namemorpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone
SMILESCC12CCC(C(=O)N3CCOCC3)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C21H25N3O2/c1-19(2)20(3)8-9-21(19,18(25)24-10-12-26-13-11-24)17-16(20)22-14-6-4-5-7-15(14)23-17/h4-7H,8-13H2,1-3H3
InChIKeyOLAKYUULCCSEOY-UHFFFAOYSA-N
XLogP2.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone?
The IUPAC name of morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone (CID 5156346) is morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone?
The canonical SMILES for morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone is CC12CCC(C(=O)N3CCOCC3)(c3nc4ccccc4nc31)C2(C)C.
What is the InChIKey of morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone?
The InChIKey is OLAKYUULCCSEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-19(2)20(3)8-9-21(19,18(25)24-10-12-26-13-11-24)17-16(20)22-14-6-4-5-7-15(14)23-17/h4-7H,8-13H2,1-3H3.
What are the key properties of morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone?
morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone has a molecular weight of 351.45 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone is sourced from PubChem (CID 5156346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).