1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone

C13H24N2O3 — CID 107404309

IUPAC1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone
SMILESCC1(O)CCCN(C(=O)CC2CNCCO2)CC1
InChIInChI=1S/C13H24N2O3/c1-13(17)3-2-6-15(7-4-13)12(16)9-11-10-14-5-8-18-11/h11,14,17H,2-10H2,1H3
InChIKeyKBAPUQPBCOTNRU-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.13
Rot. Bonds2

About 1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone

1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone (PubChem CID 107404309) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone
PubChem CID107404309
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone
SMILESCC1(O)CCCN(C(=O)CC2CNCCO2)CC1
InChIInChI=1S/C13H24N2O3/c1-13(17)3-2-6-15(7-4-13)12(16)9-11-10-14-5-8-18-11/h11,14,17H,2-10H2,1H3
InChIKeyKBAPUQPBCOTNRU-UHFFFAOYSA-N
XLogP0.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119781999
1-(2-morpholin-2-ylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 66427689
2-morpholin-2-yl-1-thiomorpholin-4-ylethanone
CID 66434733
1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119771962
1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119696186
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-morpholin-2-ylethanone
CID 66428289
1-(2-ethylmorpholin-4-yl)-2-morpholin-2-ylethanone
CID 66432993
N-methyl-1-(2-morpholin-2-ylacetyl)piperidine-4-carboxamide
CID 66433581
methyl 1-(2-morpholin-2-ylacetyl)piperidine-4-carboxylate
CID 66433180
2-morpholin-2-yl-1-(3-propoxypiperidin-1-yl)ethanone
CID 66427238
2-morpholin-2-yl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113266087

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone (CID 107404309) is 1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone is CC1(O)CCCN(C(=O)CC2CNCCO2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone?
The InChIKey is KBAPUQPBCOTNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(17)3-2-6-15(7-4-13)12(16)9-11-10-14-5-8-18-11/h11,14,17H,2-10H2,1H3.
What are the key properties of 1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone?
1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone has a molecular weight of 256.35 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone is sourced from PubChem (CID 107404309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).