[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone

C12H22N2O3 — CID 102957664

IUPAC[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)C2CCC(CN)O2)C1
InChIInChI=1S/C12H22N2O3/c1-16-10-3-2-6-14(8-10)12(15)11-5-4-9(7-13)17-11/h9-11H,2-8,13H2,1H3
InChIKeyGXXISCDTOAXDKN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds3

About [5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone

[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone (PubChem CID 102957664) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone
PubChem CID102957664
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)C2CCC(CN)O2)C1
InChIInChI=1S/C12H22N2O3/c1-16-10-3-2-6-14(8-10)12(15)11-5-4-9(7-13)17-11/h9-11H,2-8,13H2,1H3
InChIKeyGXXISCDTOAXDKN-UHFFFAOYSA-N
XLogP0.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 120792916
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 120788294
[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120793203
(3S)-1-[5-(aminomethyl)oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 81126219
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone
CID 125118450
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
CID 120793668
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone
CID 120800238
N-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-2-methylpropanamide
CID 120790922
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 120796524
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 120792330

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone (CID 102957664) is [5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone is COC1CCCN(C(=O)C2CCC(CN)O2)C1.
What is the InChIKey of [5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is GXXISCDTOAXDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-10-3-2-6-14(8-10)12(15)11-5-4-9(7-13)17-11/h9-11H,2-8,13H2,1H3.
What are the key properties of [5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone?
[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 102957664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).