1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride

C17H27ClNO2- — CID 21236485

IUPAC1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride
SMILESCC(C(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1.[Cl-]
InChIInChI=1S/C17H27NO2.ClH/c1-12(18-2-4-20-5-3-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17;/h12-15H,2-11H2,1H3;1H/p-1
InChIKeyROGBQDRHNHSZFS-UHFFFAOYSA-M
MW312.86 g/mol
LogP-0.50
Rot. Bonds3

About 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride

1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride (PubChem CID 21236485) has the molecular formula C17H27ClNO2- and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride
PubChem CID21236485
Molecular FormulaC17H27ClNO2-
Molecular Weight312.86 g/mol
Exact Mass312.17
IUPAC Name1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride
SMILESCC(C(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1.[Cl-]
InChIInChI=1S/C17H27NO2.ClH/c1-12(18-2-4-20-5-3-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17;/h12-15H,2-11H2,1H3;1H/p-1
InChIKeyROGBQDRHNHSZFS-UHFFFAOYSA-M
XLogP-0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride 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-adamantyl(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)methanone
CID 19387509
1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol
CID 4240610
[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]-methylazanium
CID 7064893
1-(1-adamantyl)-2-chloropropan-1-one
CID 87401227
2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477
(2R)-1-(1-adamantyl)-2-bromopropan-1-one
CID 7058463
N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55521489
bis(2-morpholin-4-ylpropanamide);hydrate
CID 175797150
1-(1-adamantyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 17468644
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 98113240
1-(1-adamantyl)-2,2-dihydroxyethanone
CID 15174047

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride?
The IUPAC name of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride (CID 21236485) is 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride.
What is the SMILES notation for 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride?
The canonical SMILES for 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride is CC(C(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1.[Cl-].
What is the InChIKey of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride?
The InChIKey is ROGBQDRHNHSZFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H27NO2.ClH/c1-12(18-2-4-20-5-3-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17;/h12-15H,2-11H2,1H3;1H/p-1.
What are the key properties of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride?
1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride has a molecular weight of 312.86 g/mol, XLogP of -0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one chloride is sourced from PubChem (CID 21236485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).