3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one

C13H25N3O2 — CID 54964812

IUPAC3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one
SMILESCC(CN1CCOCC1)NC1CCCCNC1=O
InChIInChI=1S/C13H25N3O2/c1-11(10-16-6-8-18-9-7-16)15-12-4-2-3-5-14-13(12)17/h11-12,15H,2-10H2,1H3,(H,14,17)
InChIKeyMELTUNZPXZYLJM-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.03
Rot. Bonds4

About 3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one

3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one (PubChem CID 54964812) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one.

Molecular Properties

Compound Name3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one
PubChem CID54964812
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one
SMILESCC(CN1CCOCC1)NC1CCCCNC1=O
InChIInChI=1S/C13H25N3O2/c1-11(10-16-6-8-18-9-7-16)15-12-4-2-3-5-14-13(12)17/h11-12,15H,2-10H2,1H3,(H,14,17)
InChIKeyMELTUNZPXZYLJM-UHFFFAOYSA-N
XLogP-0.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-imidazol-1-ylpropan-2-ylamino)azepan-2-one
CID 54958570
3-(6-methylheptan-2-ylamino)azepan-2-one
CID 60719494
N-(1-morpholin-4-ylpropan-2-yl)piperidin-4-amine
CID 61016694
3-(1-pyrrolidin-2-ylpropan-2-ylamino)azepan-2-one
CID 79541557
N-(1-cyclohexylethyl)-1-morpholin-4-ylpropan-2-amine
CID 43779482
2-[(2-oxoazepan-3-yl)amino]propanamide
CID 43420603
3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one
CID 56797269
N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43675785
N-(1-morpholin-4-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43675875
3-(1-thiophen-3-ylpropan-2-ylamino)azepan-2-one
CID 54953284
2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclopentan-1-amine
CID 79864500
3-(undecan-6-ylamino)azepan-2-one
CID 43782053

Frequently Asked Questions

What is the IUPAC name of 3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one?
The IUPAC name of 3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one (CID 54964812) is 3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one.
What is the SMILES notation for 3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one?
The canonical SMILES for 3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one is CC(CN1CCOCC1)NC1CCCCNC1=O.
What is the InChIKey of 3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one?
The InChIKey is MELTUNZPXZYLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(10-16-6-8-18-9-7-16)15-12-4-2-3-5-14-13(12)17/h11-12,15H,2-10H2,1H3,(H,14,17).
What are the key properties of 3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one?
3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one has a molecular weight of 255.36 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one is sourced from PubChem (CID 54964812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).