2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone

C13H25N3O3 — CID 106101170

IUPAC2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC1OCCC1(O)CNCC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H25N3O3/c1-11-13(18,3-8-19-11)10-14-9-12(17)16-6-4-15(2)5-7-16/h11,14,18H,3-10H2,1-2H3
InChIKeyFNUVTOUVFNYLHP-UHFFFAOYSA-N
MW271.36 g/mol
LogP-1.11
Rot. Bonds4

About 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone

2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 106101170) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID106101170
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC1OCCC1(O)CNCC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H25N3O3/c1-11-13(18,3-8-19-11)10-14-9-12(17)16-6-4-15(2)5-7-16/h11,14,18H,3-10H2,1-2H3
InChIKeyFNUVTOUVFNYLHP-UHFFFAOYSA-N
XLogP-1.11
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 103966507
3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanoic acid
CID 106101058
methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate
CID 106101091
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol
CID 106100165
2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 107270657
2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106129832
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 107163702
ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate
CID 114143694
2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 55013400
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 63681966

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone (CID 106101170) is 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone is CC1OCCC1(O)CNCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is FNUVTOUVFNYLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-11-13(18,3-8-19-11)10-14-9-12(17)16-6-4-15(2)5-7-16/h11,14,18H,3-10H2,1-2H3.
What are the key properties of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 106101170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).