2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

C24H37N3O3 — CID 86891172

IUPAC2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCCC(C)c1ccccc1OCC(=O)N1CCN(C(C)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C24H37N3O3/c1-4-19(2)21-10-6-7-11-22(21)30-18-23(28)26-16-14-25(15-17-26)20(3)24(29)27-12-8-5-9-13-27/h6-7,10-11,19-20H,4-5,8-9,12-18H2,1-3H3
InChIKeyXYKOVUQXUKXCMU-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.12
Rot. Bonds7

About 2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 86891172) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID86891172
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCCC(C)c1ccccc1OCC(=O)N1CCN(C(C)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C24H37N3O3/c1-4-19(2)21-10-6-7-11-22(21)30-18-23(28)26-16-14-25(15-17-26)20(3)24(29)27-12-8-5-9-13-27/h6-7,10-11,19-20H,4-5,8-9,12-18H2,1-3H3
InChIKeyXYKOVUQXUKXCMU-UHFFFAOYSA-N
XLogP3.12
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one with MolForge

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Related Compounds

2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
CID 78930779
2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 154743326
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
2-(2-butan-2-ylphenoxy)-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]ethanone
CID 55918427
1-[(3S)-3-aminopiperidin-1-yl]-2-[2-[(2S)-butan-2-yl]phenoxy]ethanone
CID 124628217
2-(2-butan-2-ylphenoxy)-1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethanone
CID 46413255
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426
1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 55563553
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-butan-2-ylphenoxy)ethanone
CID 119468678
1-(4-benzhydrylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 4945471
2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide
CID 95788402
2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43503608

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 86891172) is 2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is CCC(C)c1ccccc1OCC(=O)N1CCN(C(C)C(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is XYKOVUQXUKXCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-4-19(2)21-10-6-7-11-22(21)30-18-23(28)26-16-14-25(15-17-26)20(3)24(29)27-12-8-5-9-13-27/h6-7,10-11,19-20H,4-5,8-9,12-18H2,1-3H3.
What are the key properties of 2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 415.58 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 86891172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).