2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide

C26H32ClN3O3 — CID 3227027

IUPAC2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)NC(Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H32ClN3O3/c1-17(2)20-6-4-19(5-7-20)16-24(28-18(3)31)25(32)29-23-12-14-30(15-13-23)26(33)21-8-10-22(27)11-9-21/h4-11,17,23-24H,12-16H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyWPILMNNGHOXICJ-UHFFFAOYSA-N
MW470.01 g/mol
LogP3.93
Rot. Bonds7

About 2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide

2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 3227027) has the molecular formula C26H32ClN3O3 and a molecular weight of 470.01 g/mol. Its IUPAC name is 2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
PubChem CID3227027
Molecular FormulaC26H32ClN3O3
Molecular Weight470.01 g/mol
Exact Mass469.21
IUPAC Name2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)NC(Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H32ClN3O3/c1-17(2)20-6-4-19(5-7-20)16-24(28-18(3)31)25(32)29-23-12-14-30(15-13-23)26(33)21-8-10-22(27)11-9-21/h4-11,17,23-24H,12-16H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyWPILMNNGHOXICJ-UHFFFAOYSA-N
XLogP3.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.01
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 3227076
(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 7407153
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821055
2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749
2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 3227064
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
2-acetamido-3-(4-fluorophenyl)-N-[1-(methylcarbamothioyl)piperidin-4-yl]propanamide
CID 3227002
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
N-[1-(4-chlorophenyl)-3-oxobutan-2-yl]acetamide
CID 22111327

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide (CID 3227027) is 2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide is CC(=O)NC(Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is WPILMNNGHOXICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O3/c1-17(2)20-6-4-19(5-7-20)16-24(28-18(3)31)25(32)29-23-12-14-30(15-13-23)26(33)21-8-10-22(27)11-9-21/h4-11,17,23-24H,12-16H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of 2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide?
2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 470.01 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 3227027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).