2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride

C17H28ClNO2 — CID 2874633

IUPAC2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCOCC1)C12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO2.ClH/c19-16(12-18-3-5-20-6-4-18)17-9-13-1-2-14(10-17)8-15(7-13)11-17;/h13-15H,1-12H2;1H
InChIKeyVLYYOLDQBCGRPU-UHFFFAOYSA-N
MW313.87 g/mol
LogP2.92
Rot. Bonds3

About 2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride

2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride (PubChem CID 2874633) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
PubChem CID2874633
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCOCC1)C12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO2.ClH/c19-16(12-18-3-5-20-6-4-18)17-9-13-1-2-14(10-17)8-15(7-13)11-17;/h13-15H,1-12H2;1H
InChIKeyVLYYOLDQBCGRPU-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Adamantan-1-yl-2-morpholin-4-yl-propan-1-one
CID 24746871
Morpholin-4-yl-tricyclo[4.3.1.1*3,8*]undec-3-yl-methanone
CID 653746
1-Propanone, 1-(1-adamantyl)-3-morpholino-, hydrochloride
CID 64176
1-(Adamantan-1-yl)-2-(morpholin-4-yl)ethan-1-one
CID 2728853
Morpholin-4-yl(tricyclo[4.3.1.1~3,8~]undec-1-yl)methanone
CID 3110953
1-(Adamantan-1-yl)-2-(morpholin-4-yl)ethanone hydrochloride
CID 2836036
2-(2-Methoxyethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
CID 2873716
2-Piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
CID 2920540
1-(1-Adamantyl)-2-morpholin-4-ylpropan-1-one chloride
CID 21236485
morpholin-4-yl-[(1S,8R)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 746417
2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
CID 801403
morpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 803988

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
The IUPAC name of 2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride (CID 2874633) is 2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
The canonical SMILES for 2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride is Cl.O=C(CN1CCOCC1)C12CC3CCC(CC(C3)C1)C2.
What is the InChIKey of 2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
The InChIKey is VLYYOLDQBCGRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.ClH/c19-16(12-18-3-5-20-6-4-18)17-9-13-1-2-14(10-17)8-15(7-13)11-17;/h13-15H,1-12H2;1H.
What are the key properties of 2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride is sourced from PubChem (CID 2874633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).