1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone

C13H25N3O3 — CID 162800021

IUPAC1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2OCC(N(C)C)C2O)CC1
InChIInChI=1S/C13H25N3O3/c1-10(17)16-6-4-15(5-7-16)8-12-13(18)11(9-19-12)14(2)3/h11-13,18H,4-9H2,1-3H3
InChIKeyNSBDEJMZEHFHNK-UHFFFAOYSA-N
MW271.36 g/mol
LogP-1.16
Rot. Bonds3

About 1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 162800021) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID162800021
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2OCC(N(C)C)C2O)CC1
InChIInChI=1S/C13H25N3O3/c1-10(17)16-6-4-15(5-7-16)8-12-13(18)11(9-19-12)14(2)3/h11-13,18H,4-9H2,1-3H3
InChIKeyNSBDEJMZEHFHNK-UHFFFAOYSA-N
XLogP-1.16
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-ethylbutanamide
CID 162800007
N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide
CID 125417765
N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-3-fluorobenzenesulfonamide
CID 125417921
N-[(3S,4R,5S)-5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2,4-difluorobenzenesulfonamide
CID 125416986
N-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-4-hydroxyoxolan-3-yl]-3-fluorobenzamide
CID 163072842
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536720
N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide
CID 125417158
1-[4-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperazin-1-yl]ethanone
CID 166510919
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone
CID 130138001
1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone
CID 166860595

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone (CID 162800021) is 1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CC2OCC(N(C)C)C2O)CC1.
What is the InChIKey of 1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is NSBDEJMZEHFHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(17)16-6-4-15(5-7-16)8-12-13(18)11(9-19-12)14(2)3/h11-13,18H,4-9H2,1-3H3.
What are the key properties of 1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 271.36 g/mol, XLogP of -1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 162800021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).