3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one

C15H29N3O — CID 120981754

IUPAC3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCCC1(C)CCCN(CCC(=O)N2CCNCC2)C1
InChIInChI=1S/C15H29N3O/c1-3-15(2)6-4-9-17(13-15)10-5-14(19)18-11-7-16-8-12-18/h16H,3-13H2,1-2H3
InChIKeyPHXOVZFMVDBBEK-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.32
Rot. Bonds4

About 3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one

3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 120981754) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID120981754
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCCC1(C)CCCN(CCC(=O)N2CCNCC2)C1
InChIInChI=1S/C15H29N3O/c1-3-15(2)6-4-9-17(13-15)10-5-14(19)18-11-7-16-8-12-18/h16H,3-13H2,1-2H3
InChIKeyPHXOVZFMVDBBEK-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methyl-3-propylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981801
3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981416
1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63608644
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one
CID 120981963
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
3-(2-methyl-1,4-oxazepan-4-yl)-1-piperazin-1-ylpropan-1-one
CID 55153707
3-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97127610
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120772197
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
3-(4-ethylsulfonylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980697
1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one
CID 39255742
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one (CID 120981754) is 3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one is CCC1(C)CCCN(CCC(=O)N2CCNCC2)C1.
What is the InChIKey of 3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is PHXOVZFMVDBBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-15(2)6-4-9-17(13-15)10-5-14(19)18-11-7-16-8-12-18/h16H,3-13H2,1-2H3.
What are the key properties of 3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120981754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).