(4-aminopiperidin-1-yl)-(oxan-3-yl)methanone

C11H20N2O2 — CID 62760326

IUPAC(4-aminopiperidin-1-yl)-(oxan-3-yl)methanone
SMILESNC1CCN(C(=O)C2CCCOC2)CC1
InChIInChI=1S/C11H20N2O2/c12-10-3-5-13(6-4-10)11(14)9-2-1-7-15-8-9/h9-10H,1-8,12H2
InChIKeyJRSQYFXMOKCRBB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.36
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(oxan-3-yl)methanone

(4-aminopiperidin-1-yl)-(oxan-3-yl)methanone (PubChem CID 62760326) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(oxan-3-yl)methanone
PubChem CID62760326
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(4-aminopiperidin-1-yl)-(oxan-3-yl)methanone
SMILESNC1CCN(C(=O)C2CCCOC2)CC1
InChIInChI=1S/C11H20N2O2/c12-10-3-5-13(6-4-10)11(14)9-2-1-7-15-8-9/h9-10H,1-8,12H2
InChIKeyJRSQYFXMOKCRBB-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-1-(oxane-3-carbonyl)piperidine-4-carboximidamide
CID 77038913
[3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone
CID 62759965
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80553762
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone
CID 62759775
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride
CID 119464992
(4-aminopiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129493268
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
[4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone
CID 66203292
2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid
CID 62759578
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
2-[4-(oxane-3-carbonyl)piperazin-1-yl]butanethioamide
CID 63340411

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(oxan-3-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(oxan-3-yl)methanone (CID 62760326) is (4-aminopiperidin-1-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(oxan-3-yl)methanone is NC1CCN(C(=O)C2CCCOC2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(oxan-3-yl)methanone?
The InChIKey is JRSQYFXMOKCRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-10-3-5-13(6-4-10)11(14)9-2-1-7-15-8-9/h9-10H,1-8,12H2.
What are the key properties of (4-aminopiperidin-1-yl)-(oxan-3-yl)methanone?
(4-aminopiperidin-1-yl)-(oxan-3-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 62760326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).