9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

C21H27N5O2 — CID 165114377

IUPAC9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESCC1Oc2cnc(C3CCNCC3)cc2Nc2nccc(N3CCOCC3)c21
InChIInChI=1S/C21H27N5O2/c1-14-20-18(26-8-10-27-11-9-26)4-7-23-21(20)25-17-12-16(24-13-19(17)28-14)15-2-5-22-6-3-15/h4,7,12-15,22H,2-3,5-6,8-11H2,1H3,(H,23,25)
InChIKeyXTIXZBXFIXVNMK-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.98
Rot. Bonds2

About 9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (PubChem CID 165114377) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.

Molecular Properties

Compound Name9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
PubChem CID165114377
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESCC1Oc2cnc(C3CCNCC3)cc2Nc2nccc(N3CCOCC3)c21
InChIInChI=1S/C21H27N5O2/c1-14-20-18(26-8-10-27-11-9-26)4-7-23-21(20)25-17-12-16(24-13-19(17)28-14)15-2-5-22-6-3-15/h4,7,12-15,22H,2-3,5-6,8-11H2,1H3,(H,23,25)
InChIKeyXTIXZBXFIXVNMK-UHFFFAOYSA-N
XLogP2.98
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[4-[(9S)-9,12-dimethyl-7-morpholin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-14-yl]piperidin-1-yl]azetidin-1-yl]but-2-yn-1-one
CID 165115203
tert-butyl 3-[4-(9-methyl-7-morpholin-4-yl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-14-yl)piperidin-1-yl]azetidine-1-carboxylate
CID 164545903
12-methyl-7-morpholin-4-yl-14-[1-[(3R)-pyrrolidin-3-yl]piperidin-4-yl]-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 165115467
9-[(3S)-1-(azetidin-3-yl)piperidin-3-yl]-4-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzoxazepine
CID 165114352
13-cyclopropyl-7-morpholin-4-yl-15-(1-sulfanylazetidin-3-yl)-11-oxa-10-thia-2,4,14-triazatricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene
CID 165115277
tert-butyl 3-[3-(12-methyl-7-morpholin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-14-yl)pyrrolidin-1-yl]azetidine-1-carboxylate
CID 165114877
9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine
CID 164545667
4-morpholin-4-yl-9-[1-[(3R)-pyrrolidin-3-yl]azetidin-3-yl]-7-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzoxazepine
CID 165114837
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine
CID 154445366
9-[1-(azetidin-3-yl)-3-fluoropiperidin-4-yl]-4-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzoxazepine
CID 165115012
4-(7-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine;hydrobromide
CID 174174045

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The IUPAC name of 9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (CID 165114377) is 9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.
What is the SMILES notation for 9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The canonical SMILES for 9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is CC1Oc2cnc(C3CCNCC3)cc2Nc2nccc(N3CCOCC3)c21.
What is the InChIKey of 9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The InChIKey is XTIXZBXFIXVNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-20-18(26-8-10-27-11-9-26)4-7-23-21(20)25-17-12-16(24-13-19(17)28-14)15-2-5-22-6-3-15/h4,7,12-15,22H,2-3,5-6,8-11H2,1H3,(H,23,25).
What are the key properties of 9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene has a molecular weight of 381.48 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-morpholin-4-yl-14-piperidin-4-yl-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is sourced from PubChem (CID 165114377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).