4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide

C20H31N3O3 — CID 110812357

IUPAC4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C20H31N3O3/c1-14(2)21-19(25)23-11-9-22(10-12-23)18(24)16-13-15(20(3,4)5)7-8-17(16)26-6/h7-8,13-14H,9-12H2,1-6H3,(H,21,25)
InChIKeyAMQPWMBAIOFKML-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.87
Rot. Bonds3

About 4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide

4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 110812357) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID110812357
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C20H31N3O3/c1-14(2)21-19(25)23-11-9-22(10-12-23)18(24)16-13-15(20(3,4)5)7-8-17(16)26-6/h7-8,13-14H,9-12H2,1-6H3,(H,21,25)
InChIKeyAMQPWMBAIOFKML-UHFFFAOYSA-N
XLogP2.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110761321
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882718
[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110815091
4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812493
N-tert-butyl-4-(2-methoxy-5-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813376
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51211834
4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113076586
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801424
N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide
CID 110812489
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110800214
4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812118
1-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806210

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide (CID 110812357) is 4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide is COc1ccc(C(C)(C)C)cc1C(=O)N1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is AMQPWMBAIOFKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14(2)21-19(25)23-11-9-22(10-12-23)18(24)16-13-15(20(3,4)5)7-8-17(16)26-6/h7-8,13-14H,9-12H2,1-6H3,(H,21,25).
What are the key properties of 4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide?
4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 110812357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).