4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone

C21H28N2O2 — CID 51100287

IUPAC4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1N1CCOCC1)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C21H28N2O2/c24-21(19-3-1-2-4-20(19)22-5-7-25-8-6-22)23-14-17-10-15-9-16(11-17)13-18(23)12-15/h1-4,15-18H,5-14H2
InChIKeyCSVDQTNWCGQFGW-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.17
Rot. Bonds2

About 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone

4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone (PubChem CID 51100287) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone
PubChem CID51100287
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1N1CCOCC1)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C21H28N2O2/c24-21(19-3-1-2-4-20(19)22-5-7-25-8-6-22)23-14-17-10-15-9-16(11-17)13-18(23)12-15/h1-4,15-18H,5-14H2
InChIKeyCSVDQTNWCGQFGW-UHFFFAOYSA-N
XLogP3.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 119486562
[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 136545301
(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70747258
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 134713318
(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 118763707
2-morpholin-4-ylbenzohydrazide
CID 7148386
(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95321116
[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 166621358
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 156607511

Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone (CID 51100287) is 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone is O=C(c1ccccc1N1CCOCC1)N1CC2CC3CC(C2)CC1C3.
What is the InChIKey of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is CSVDQTNWCGQFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-21(19-3-1-2-4-20(19)22-5-7-25-8-6-22)23-14-17-10-15-9-16(11-17)13-18(23)12-15/h1-4,15-18H,5-14H2.
What are the key properties of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone?
4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 340.47 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 51100287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).