4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

C22H28N4O3 — CID 113113951

IUPAC4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-16(2)29-21-10-6-19(7-11-21)24-22(28)26-14-12-25(13-15-26)20-8-4-18(5-9-20)23-17(3)27/h4-11,16H,12-15H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyUKCXOPBSEIIZGU-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.79
Rot. Bonds5

About 4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113113951) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113113951
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-16(2)29-21-10-6-19(7-11-21)24-22(28)26-14-12-25(13-15-26)20-8-4-18(5-9-20)23-17(3)27/h4-11,16H,12-15H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyUKCXOPBSEIIZGU-UHFFFAOYSA-N
XLogP3.79
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113934
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104357
2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 108985742
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103271
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110605
methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate
CID 113078316
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113113951) is 4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is UKCXOPBSEIIZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16(2)29-21-10-6-19(7-11-21)24-22(28)26-14-12-25(13-15-26)20-8-4-18(5-9-20)23-17(3)27/h4-11,16H,12-15H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).