1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone

C26H33N3O3 — CID 39891735

IUPAC1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone
SMILESCCOc1ccccc1N1CCN(C(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C26H33N3O3/c1-3-32-24-12-8-7-11-23(24)28-17-19-29(20-18-28)25(31)26(22-9-5-4-6-10-22)13-15-27(16-14-26)21(2)30/h4-12H,3,13-20H2,1-2H3
InChIKeyIQQUFGQQJJUDTF-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.31
Rot. Bonds5

About 1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone

1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone (PubChem CID 39891735) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone
PubChem CID39891735
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone
SMILESCCOc1ccccc1N1CCN(C(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C26H33N3O3/c1-3-32-24-12-8-7-11-23(24)28-17-19-29(20-18-28)25(31)26(22-9-5-4-6-10-22)13-15-27(16-14-26)21(2)30/h4-12H,3,13-20H2,1-2H3
InChIKeyIQQUFGQQJJUDTF-UHFFFAOYSA-N
XLogP3.31
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198236
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone
CID 97454697
1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 22241002
1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 39581896
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone
CID 110436569
1-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]-3-phenylpropan-1-one
CID 23600348
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 75460850
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9346325

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone (CID 39891735) is 1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone is CCOc1ccccc1N1CCN(C(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone?
The InChIKey is IQQUFGQQJJUDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-3-32-24-12-8-7-11-23(24)28-17-19-29(20-18-28)25(31)26(22-9-5-4-6-10-22)13-15-27(16-14-26)21(2)30/h4-12H,3,13-20H2,1-2H3.
What are the key properties of 1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone?
1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone has a molecular weight of 435.57 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone is sourced from PubChem (CID 39891735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).