1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone

C11H20N2O2 — CID 65160580

IUPAC1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
SMILESNC1CCCN(C(=O)CC2CCCO2)C1
InChIInChI=1S/C11H20N2O2/c12-9-3-1-5-13(8-9)11(14)7-10-4-2-6-15-10/h9-10H,1-8,12H2
InChIKeyPZJXGQDSUKADMQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.51
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone

1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone (PubChem CID 65160580) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
PubChem CID65160580
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
SMILESNC1CCCN(C(=O)CC2CCCO2)C1
InChIInChI=1S/C11H20N2O2/c12-9-3-1-5-13(8-9)11(14)7-10-4-2-6-15-10/h9-10H,1-8,12H2
InChIKeyPZJXGQDSUKADMQ-UHFFFAOYSA-N
XLogP0.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124512411
1-(3-bromopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 80660576
1-[2-(oxolan-2-yl)acetyl]piperidine-3-sulfonamide
CID 64867820
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124517290
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160440
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
CID 124512416
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
CID 95734342
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62357278
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
3-[1-[2-(oxan-2-yl)acetyl]piperidin-3-yl]butanoic acid
CID 81043092

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone (CID 65160580) is 1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone is NC1CCCN(C(=O)CC2CCCO2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone?
The InChIKey is PZJXGQDSUKADMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-9-3-1-5-13(8-9)11(14)7-10-4-2-6-15-10/h9-10H,1-8,12H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone?
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone has a molecular weight of 212.29 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 65160580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).