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

C13H24N2O3 — CID 107268371

IUPAC1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2(O)CCOC2C)CC1
InChIInChI=1S/C13H24N2O3/c1-10-13(17,5-8-18-10)9-14-12-3-6-15(7-4-12)11(2)16/h10,12,14,17H,3-9H2,1-2H3
InChIKeyJAGLXQNXBUKOBT-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.13
Rot. Bonds3

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

1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 107268371) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID107268371
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2(O)CCOC2C)CC1
InChIInChI=1S/C13H24N2O3/c1-10-13(17,5-8-18-10)9-14-12-3-6-15(7-4-12)11(2)16/h10,12,14,17H,3-9H2,1-2H3
InChIKeyJAGLXQNXBUKOBT-UHFFFAOYSA-N
XLogP0.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze 1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
CID 107270731
2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 107270657
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone
CID 113293617
3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol
CID 114078738
1-[4-[(1-propan-2-ylcyclopropyl)methylamino]piperidin-1-yl]ethanone
CID 103743396
1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 65116415
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
CID 106101003
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106101170
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
CID 106102911
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone (CID 107268371) is 1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC2(O)CCOC2C)CC1.
What is the InChIKey of 1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is JAGLXQNXBUKOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-13(17,5-8-18-10)9-14-12-3-6-15(7-4-12)11(2)16/h10,12,14,17H,3-9H2,1-2H3.
What are the key properties of 1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 256.35 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 107268371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).