1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one

C13H24N2O3 — CID 54905983

IUPAC1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one
SMILESCC(NCC1CCCOC1)C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O3/c1-11(13(16)15-4-7-17-8-5-15)14-9-12-3-2-6-18-10-12/h11-12,14H,2-10H2,1H3
InChIKeyNPWDLTJUGCKJBP-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.25
Rot. Bonds4

About 1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one

1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one (PubChem CID 54905983) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one
PubChem CID54905983
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one
SMILESCC(NCC1CCCOC1)C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O3/c1-11(13(16)15-4-7-17-8-5-15)14-9-12-3-2-6-18-10-12/h11-12,14H,2-10H2,1H3
InChIKeyNPWDLTJUGCKJBP-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-morpholin-4-yl-2-[[(2R)-oxolan-2-yl]methylamino]propan-1-one
CID 1439822
2-[(2-methylcyclohexyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 55013356
N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54905939
1-morpholin-4-yl-N-(oxan-3-ylmethyl)propan-2-amine
CID 55242797
N-ethyl-N-methyl-2-(oxan-3-ylmethylamino)propanamide
CID 103106976
1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one
CID 112551283
N-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54906033
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide
CID 127300025
2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
1-morpholin-4-yl-2-(oxan-3-yl)ethanone
CID 110849361
2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083350
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one (CID 54905983) is 1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one is CC(NCC1CCCOC1)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one?
The InChIKey is NPWDLTJUGCKJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(13(16)15-4-7-17-8-5-15)14-9-12-3-2-6-18-10-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one?
1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one has a molecular weight of 256.35 g/mol, XLogP of 0.25, 4 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-(oxan-3-ylmethylamino)propan-1-one is sourced from PubChem (CID 54905983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).