3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one

C12H24N2O2 — CID 102957635

IUPAC3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCCC(OC)C1
InChIInChI=1S/C12H24N2O2/c1-4-13-8-10(2)12(15)14-7-5-6-11(9-14)16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyXSADVVIUBKBTBH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds5

About 3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one

3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 102957635) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one
PubChem CID102957635
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCCC(OC)C1
InChIInChI=1S/C12H24N2O2/c1-4-13-8-10(2)12(15)14-7-5-6-11(9-14)16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyXSADVVIUBKBTBH-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
CID 103195276
1-(azocan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852509
(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one
CID 129410228
2-bromo-1-(3-methoxypiperidin-1-yl)butan-1-one
CID 102956877
2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
CID 119729761
1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one
CID 63167112
1-(4-acetyl-1,4-diazepan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62839640
3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114220970
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 106835868
1-(4-cyclopropylpiperazin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62851691
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 114408986

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one (CID 102957635) is 3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one is CCNCC(C)C(=O)N1CCCC(OC)C1.
What is the InChIKey of 3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is XSADVVIUBKBTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-13-8-10(2)12(15)14-7-5-6-11(9-14)16-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one?
3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 102957635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).