2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone

C13H24N2O2 — CID 54948766

IUPAC2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone
SMILESO=C(CNCC1CCCCO1)N1CCCCC1
InChIInChI=1S/C13H24N2O2/c16-13(15-7-3-1-4-8-15)11-14-10-12-6-2-5-9-17-12/h12,14H,1-11H2
InChIKeyXRGZFDXDQDJAQK-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds4

About 2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone

2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone (PubChem CID 54948766) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone
PubChem CID54948766
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone
SMILESO=C(CNCC1CCCCO1)N1CCCCC1
InChIInChI=1S/C13H24N2O2/c16-13(15-7-3-1-4-8-15)11-14-10-12-6-2-5-9-17-12/h12,14H,1-11H2
InChIKeyXRGZFDXDQDJAQK-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 91645723
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
1-[(2S)-2-methylpiperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439792
N-tert-butyl-2-(oxan-2-ylmethylamino)acetamide
CID 60697952
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
CID 106133822
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119827710
2-(cyclopropylmethylamino)-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 60963080
N-cyclooctyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119674119
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119843545

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone (CID 54948766) is 2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone is O=C(CNCC1CCCCO1)N1CCCCC1.
What is the InChIKey of 2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone?
The InChIKey is XRGZFDXDQDJAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13(15-7-3-1-4-8-15)11-14-10-12-6-2-5-9-17-12/h12,14H,1-11H2.
What are the key properties of 2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone?
2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone has a molecular weight of 240.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 54948766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).