1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one

C13H24N2O3 — CID 112551283

IUPAC1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one
SMILESCC(NC1CCCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O3/c1-11(13(16)15-5-9-18-10-6-15)14-12-3-2-7-17-8-4-12/h11-12,14H,2-10H2,1H3
InChIKeyGWYNCEMKXGSOPG-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.39
Rot. Bonds3

About 1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one

1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one (PubChem CID 112551283) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one
PubChem CID112551283
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one
SMILESCC(NC1CCCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O3/c1-11(13(16)15-5-9-18-10-6-15)14-12-3-2-7-17-8-4-12/h11-12,14H,2-10H2,1H3
InChIKeyGWYNCEMKXGSOPG-UHFFFAOYSA-N
XLogP0.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one 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

2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158
2-[(3-methylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113348498
2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 83032817
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-[[(1S)-1-cyclopentylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81395367
1-cyclohexyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347766
2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81392361
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one
CID 102731617
1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one
CID 54905983

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one (CID 112551283) is 1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one is CC(NC1CCCOCC1)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one?
The InChIKey is GWYNCEMKXGSOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(13(16)15-5-9-18-10-6-15)14-12-3-2-7-17-8-4-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one?
1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one has a molecular weight of 256.35 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one is sourced from PubChem (CID 112551283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).