6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one

C14H20N2O3 — CID 115060280

IUPAC6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one
SMILESCOc1cccc(N2CC(CCCN)OCC2=O)c1
InChIInChI=1S/C14H20N2O3/c1-18-12-5-2-4-11(8-12)16-9-13(6-3-7-15)19-10-14(16)17/h2,4-5,8,13H,3,6-7,9-10,15H2,1H3
InChIKeyBNSOBKSMDCAFIK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.17
Rot. Bonds5

About 6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one

6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one (PubChem CID 115060280) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one.

Molecular Properties

Compound Name6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one
PubChem CID115060280
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one
SMILESCOc1cccc(N2CC(CCCN)OCC2=O)c1
InChIInChI=1S/C14H20N2O3/c1-18-12-5-2-4-11(8-12)16-9-13(6-3-7-15)19-10-14(16)17/h2,4-5,8,13H,3,6-7,9-10,15H2,1H3
InChIKeyBNSOBKSMDCAFIK-UHFFFAOYSA-N
XLogP1.17
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one
CID 115060311
ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
CID 110367661
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367657
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367624
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzenesulfonamide
CID 110367685
2-methoxy-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367630
3-chloro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367650
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
6-(aminomethyl)-4-naphthalen-2-ylmorpholin-3-one
CID 116838193
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methoxybenzamide
CID 110367710
4-ethynyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 168500928

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one?
The IUPAC name of 6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one (CID 115060280) is 6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one.
What is the SMILES notation for 6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one?
The canonical SMILES for 6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one is COc1cccc(N2CC(CCCN)OCC2=O)c1.
What is the InChIKey of 6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one?
The InChIKey is BNSOBKSMDCAFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-5-2-4-11(8-12)16-9-13(6-3-7-15)19-10-14(16)17/h2,4-5,8,13H,3,6-7,9-10,15H2,1H3.
What are the key properties of 6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one?
6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one has a molecular weight of 264.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one is sourced from PubChem (CID 115060280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).