2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone

C15H28N2O3 — CID 120793368

IUPAC2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCCOCC1CCCN(C(=O)C(N)C2CCOCC2)C1
InChIInChI=1S/C15H28N2O3/c1-2-19-11-12-4-3-7-17(10-12)15(18)14(16)13-5-8-20-9-6-13/h12-14H,2-11,16H2,1H3
InChIKeySPCZTKRPPTYWOY-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.02
Rot. Bonds5

About 2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone

2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 120793368) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID120793368
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCCOCC1CCCN(C(=O)C(N)C2CCOCC2)C1
InChIInChI=1S/C15H28N2O3/c1-2-19-11-12-4-3-7-17(10-12)15(18)14(16)13-5-8-20-9-6-13/h12-14H,2-11,16H2,1H3
InChIKeySPCZTKRPPTYWOY-UHFFFAOYSA-N
XLogP1.02
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120792917
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120795292
(2R)-2-amino-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129393445
2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120797730
2-amino-1-[(3S)-3-methoxypyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793854
N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride
CID 120790917
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 120787494
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119786526
2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 120801010
2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120801009
(2S)-2-amino-1-[3-(ethoxymethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119341199
N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 120790923

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone (CID 120793368) is 2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone is CCOCC1CCCN(C(=O)C(N)C2CCOCC2)C1.
What is the InChIKey of 2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is SPCZTKRPPTYWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-19-11-12-4-3-7-17(10-12)15(18)14(16)13-5-8-20-9-6-13/h12-14H,2-11,16H2,1H3.
What are the key properties of 2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120793368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).