N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide

C32H37N3O4 — CID 171683710

IUPACN-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccc(NC(=O)Cc4ccc(C(C)C)cc4)cc3)CC2)cc1NC(C)=O
InChIInChI=1S/C32H37N3O4/c1-21(2)24-7-5-23(6-8-24)19-31(37)34-28-12-9-25(10-13-28)26-15-17-35(18-16-26)32(38)27-11-14-30(39-4)29(20-27)33-22(3)36/h5-14,20-21,26H,15-19H2,1-4H3,(H,33,36)(H,34,37)
InChIKeyHSHPOWYNBARNDE-UHFFFAOYSA-N
MW527.67 g/mol
LogP5.98
Rot. Bonds8

About N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide

N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 171683710) has the molecular formula C32H37N3O4 and a molecular weight of 527.67 g/mol. Its IUPAC name is N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID171683710
Molecular FormulaC32H37N3O4
Molecular Weight527.67 g/mol
Exact Mass527.28
IUPAC NameN-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccc(NC(=O)Cc4ccc(C(C)C)cc4)cc3)CC2)cc1NC(C)=O
InChIInChI=1S/C32H37N3O4/c1-21(2)24-7-5-23(6-8-24)19-31(37)34-28-12-9-25(10-13-28)26-15-17-35(18-16-26)32(38)27-11-14-30(39-4)29(20-27)33-22(3)36/h5-14,20-21,26H,15-19H2,1-4H3,(H,33,36)(H,34,37)
InChIKeyHSHPOWYNBARNDE-UHFFFAOYSA-N
XLogP5.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800272
2-(4-aminophenyl)-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119755653
N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 171683445
2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide
CID 171684328
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 70598788
2-(4-aminophenyl)-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 119755689
2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171681053
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60512130
2-(4-chlorophenyl)-N-[4-[1-(3-methoxy-4-nitrobenzoyl)piperidin-4-yl]phenyl]propanamide
CID 171681760
ethyl 4-(3-acetamido-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110809030
N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 171681483

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide (CID 171683710) is N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide is COc1ccc(C(=O)N2CCC(c3ccc(NC(=O)Cc4ccc(C(C)C)cc4)cc3)CC2)cc1NC(C)=O.
What is the InChIKey of N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is HSHPOWYNBARNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O4/c1-21(2)24-7-5-23(6-8-24)19-31(37)34-28-12-9-25(10-13-28)26-15-17-35(18-16-26)32(38)27-11-14-30(39-4)29(20-27)33-22(3)36/h5-14,20-21,26H,15-19H2,1-4H3,(H,33,36)(H,34,37).
What are the key properties of N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide?
N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 527.67 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 171683710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).