3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

C15H29N3O2 — CID 86931018

IUPAC3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCOCCN1CCN(CCC(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-20-14-13-17-11-9-16(10-12-17)8-5-15(19)18-6-3-2-4-7-18/h2-14H2,1H3
InChIKeyJFYLAZDHPLNABR-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.65
Rot. Bonds6

About 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 86931018) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID86931018
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCOCCN1CCN(CCC(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-20-14-13-17-11-9-16(10-12-17)8-5-15(19)18-6-3-2-4-7-18/h2-14H2,1H3
InChIKeyJFYLAZDHPLNABR-UHFFFAOYSA-N
XLogP0.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-3-oxopropanoic acid
CID 62229918
2-iodo-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 155022940
1-(2-methoxyethyl)azocane
CID 47014834
2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethoxy]acetic acid
CID 61327126
3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
CID 46991961
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012
4-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302083
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 86931018) is 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is COCCN1CCN(CCC(=O)N2CCCCC2)CC1.
What is the InChIKey of 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is JFYLAZDHPLNABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-20-14-13-17-11-9-16(10-12-17)8-5-15(19)18-6-3-2-4-7-18/h2-14H2,1H3.
What are the key properties of 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 283.42 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 86931018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).