N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide

C19H29N3O3 — CID 110812489

IUPACN-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide
SMILESCCc1ccc(OC)c(C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-6-14-7-8-16(25-5)15(13-14)17(23)21-9-11-22(12-10-21)18(24)20-19(2,3)4/h7-8,13H,6,9-12H2,1-5H3,(H,20,24)
InChIKeyAAJFJDYKEYTGCB-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.52
Rot. Bonds3

About N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide

N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide (PubChem CID 110812489) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide
PubChem CID110812489
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide
SMILESCCc1ccc(OC)c(C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-6-14-7-8-16(25-5)15(13-14)17(23)21-9-11-22(12-10-21)18(24)20-19(2,3)4/h7-8,13H,6,9-12H2,1-5H3,(H,20,24)
InChIKeyAAJFJDYKEYTGCB-UHFFFAOYSA-N
XLogP2.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-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

N-tert-butyl-4-(2-methoxy-5-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813376
cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801618
[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110801953
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
5-ethyl-2-methoxybenzoic acid
CID 20721149
1-[4-(5-ethyl-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110816711
1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110761321
4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812357
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801424
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
3-chloro-1-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 108568491
(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95732304

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide (CID 110812489) is N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide is CCc1ccc(OC)c(C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1.
What is the InChIKey of N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide?
The InChIKey is AAJFJDYKEYTGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-6-14-7-8-16(25-5)15(13-14)17(23)21-9-11-22(12-10-21)18(24)20-19(2,3)4/h7-8,13H,6,9-12H2,1-5H3,(H,20,24).
What are the key properties of N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide?
N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 110812489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).