3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one

C18H28N2O — CID 119789061

IUPAC3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
SMILESCCC1(C)CCCN(C(=O)C(C)C(N)c2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-4-18(3)11-8-12-20(13-18)17(21)14(2)16(19)15-9-6-5-7-10-15/h5-7,9-10,14,16H,4,8,11-13,19H2,1-3H3
InChIKeyFGVOQNPJZBJHFX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.36
Rot. Bonds4

About 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one

3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one (PubChem CID 119789061) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
PubChem CID119789061
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
SMILESCCC1(C)CCCN(C(=O)C(C)C(N)c2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-4-18(3)11-8-12-20(13-18)17(21)14(2)16(19)15-9-6-5-7-10-15/h5-7,9-10,14,16H,4,8,11-13,19H2,1-3H3
InChIKeyFGVOQNPJZBJHFX-UHFFFAOYSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one (CID 119789061) is 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one is CCC1(C)CCCN(C(=O)C(C)C(N)c2ccccc2)C1.
What is the InChIKey of 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one?
The InChIKey is FGVOQNPJZBJHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-18(3)11-8-12-20(13-18)17(21)14(2)16(19)15-9-6-5-7-10-15/h5-7,9-10,14,16H,4,8,11-13,19H2,1-3H3.
What are the key properties of 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one?
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 119789061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).