[4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone

C14H18N2O4 — CID 39377171

IUPAC[4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
SMILESNOCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H18N2O4/c15-20-8-10-3-5-16(6-4-10)14(17)11-1-2-12-13(7-11)19-9-18-12/h1-2,7,10H,3-6,8-9,15H2
InChIKeyOYBGAXJICMJFBK-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.16
Rot. Bonds3

About [4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone

[4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone (PubChem CID 39377171) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone.

Molecular Properties

Compound Name[4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
PubChem CID39377171
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
SMILESNOCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H18N2O4/c15-20-8-10-3-5-16(6-4-10)14(17)11-1-2-12-13(7-11)19-9-18-12/h1-2,7,10H,3-6,8-9,15H2
InChIKeyOYBGAXJICMJFBK-UHFFFAOYSA-N
XLogP1.16
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-benzodioxol-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80546008
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
1,3-benzodioxol-5-yl-[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methanone
CID 129357465
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
ethyl 4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808937
1,3-benzodioxol-5-yl-(4-methylazepan-1-yl)methanone
CID 84582371
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 62069448
methyl 1-(1,3-benzodioxole-5-carbonyl)-5-oxoazepane-4-carboxylate
CID 84581895
(4-amino-3-methylpiperidin-1-yl)-(1,3-benzodioxol-5-yl)methanone;hydrochloride
CID 119592466
1,3-benzodioxol-5-yl-[(2R)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97475319
1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone
CID 71801062

Frequently Asked Questions

What is the IUPAC name of [4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone?
The IUPAC name of [4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone (CID 39377171) is [4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone.
What is the SMILES notation for [4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone?
The canonical SMILES for [4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone is NOCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of [4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone?
The InChIKey is OYBGAXJICMJFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-20-8-10-3-5-16(6-4-10)14(17)11-1-2-12-13(7-11)19-9-18-12/h1-2,7,10H,3-6,8-9,15H2.
What are the key properties of [4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone?
[4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone has a molecular weight of 278.31 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 [4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone is sourced from PubChem (CID 39377171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).