morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone

C21H21NO2 — CID 819622

IUPACmorpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone
SMILESO=C([C@@H]1CC2c3ccccc3C1c1ccccc12)N1CCOCC1
InChIInChI=1S/C21H21NO2/c23-21(22-9-11-24-12-10-22)19-13-18-14-5-1-3-7-16(14)20(19)17-8-4-2-6-15(17)18/h1-8,18-20H,9-13H2/t18?,19-,20?/m1/s1
InChIKeyOTACKTYTFTXBLR-IOJLRTSASA-N
MW319.40 g/mol
LogP3.14
Rot. Bonds1

About morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone

morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone (PubChem CID 819622) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone
PubChem CID819622
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Namemorpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone
SMILESO=C([C@@H]1CC2c3ccccc3C1c1ccccc12)N1CCOCC1
InChIInChI=1S/C21H21NO2/c23-21(22-9-11-24-12-10-22)19-13-18-14-5-1-3-7-16(14)20(19)17-8-4-2-6-15(17)18/h1-8,18-20H,9-13H2/t18?,19-,20?/m1/s1
InChIKeyOTACKTYTFTXBLR-IOJLRTSASA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
CID 64592075
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 86914646
2-(morpholine-4-carbonyl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 109133413
1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid
CID 163448109
2-(morpholine-4-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 109133281
(1R,2R,4R)-4-benzylsulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 142763383
1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
CID 110198184
trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
CID 1150738
(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-2-one
CID 110086869
(5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 2377275
[1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42681054

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone?
The IUPAC name of morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone (CID 819622) is morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone?
The canonical SMILES for morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone is O=C([C@@H]1CC2c3ccccc3C1c1ccccc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone?
The InChIKey is OTACKTYTFTXBLR-IOJLRTSASA-N. The full InChI is InChI=1S/C21H21NO2/c23-21(22-9-11-24-12-10-22)19-13-18-14-5-1-3-7-16(14)20(19)17-8-4-2-6-15(17)18/h1-8,18-20H,9-13H2/t18?,19-,20?/m1/s1.
What are the key properties of morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone?
morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone has a molecular weight of 319.40 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone is sourced from PubChem (CID 819622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).