2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide

C25H32N2O3 — CID 108561343

IUPAC2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H32N2O3/c1-4-30-23-11-5-19(6-12-23)17-24(28)26-22-13-15-27(16-14-22)25(29)21-9-7-20(8-10-21)18(2)3/h5-12,18,22H,4,13-17H2,1-3H3,(H,26,28)
InChIKeyBKESOFFZQHXOJO-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.17
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide

2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 108561343) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
PubChem CID108561343
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H32N2O3/c1-4-30-23-11-5-19(6-12-23)17-24(28)26-22-13-15-27(16-14-22)25(29)21-9-7-20(8-10-21)18(2)3/h5-12,18,22H,4,13-17H2,1-3H3,(H,26,28)
InChIKeyBKESOFFZQHXOJO-UHFFFAOYSA-N
XLogP4.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 108569229
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108560903
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517
2-(4-ethoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108553957
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide
CID 112807627
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112838965
2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112804073
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108548382
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide (CID 108561343) is 2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide is CCOc1ccc(CC(=O)NC2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is BKESOFFZQHXOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-4-30-23-11-5-19(6-12-23)17-24(28)26-22-13-15-27(16-14-22)25(29)21-9-7-20(8-10-21)18(2)3/h5-12,18,22H,4,13-17H2,1-3H3,(H,26,28).
What are the key properties of 2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide?
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 408.54 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108561343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).