1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

C15H29N3O2 — CID 80550106

IUPAC1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCCOC1CCCN(C(=O)C(C)(C)N2CCNCC2)C1
InChIInChI=1S/C15H29N3O2/c1-4-20-13-6-5-9-17(12-13)14(19)15(2,3)18-10-7-16-8-11-18/h13,16H,4-12H2,1-3H3
InChIKeyNIIBEUBHBRGPHA-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.70
Rot. Bonds4

About 1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (PubChem CID 80550106) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
PubChem CID80550106
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCCOC1CCCN(C(=O)C(C)(C)N2CCNCC2)C1
InChIInChI=1S/C15H29N3O2/c1-4-20-13-6-5-9-17(12-13)14(19)15(2,3)18-10-7-16-8-11-18/h13,16H,4-12H2,1-3H3
InChIKeyNIIBEUBHBRGPHA-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylpiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80548544
3-(3-ethoxypiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821760
1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 54989916
1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
CID 107026169
3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76921685
N-[1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidin-3-yl]acetamide
CID 80547621
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80549868
1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one
CID 130611611
1-(3-ethoxypiperidin-1-yl)-2-propylsulfanylethanone
CID 47737118
4-chloro-1-(3-ethoxypiperidin-1-yl)butan-1-one
CID 63308584
tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate
CID 47736405

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (CID 80550106) is 1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is CCOC1CCCN(C(=O)C(C)(C)N2CCNCC2)C1.
What is the InChIKey of 1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The InChIKey is NIIBEUBHBRGPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-20-13-6-5-9-17(12-13)14(19)15(2,3)18-10-7-16-8-11-18/h13,16H,4-12H2,1-3H3.
What are the key properties of 1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one has a molecular weight of 283.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 80550106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).