4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide

C19H29N3O4 — CID 110812395

IUPAC4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NCC(C)(C)C)CC2)c(OC)c1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)13-20-18(24)22-10-8-21(9-11-22)17(23)15-7-6-14(25-4)12-16(15)26-5/h6-7,12H,8-11,13H2,1-5H3,(H,20,24)
InChIKeyIEOLHQLTIYEZOS-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.22
Rot. Bonds4

About 4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide

4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide (PubChem CID 110812395) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
PubChem CID110812395
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NCC(C)(C)C)CC2)c(OC)c1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)13-20-18(24)22-10-8-21(9-11-22)17(23)15-7-6-14(25-4)12-16(15)26-5/h6-7,12H,8-11,13H2,1-5H3,(H,20,24)
InChIKeyIEOLHQLTIYEZOS-UHFFFAOYSA-N
XLogP2.22
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethoxybenzoyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 51089081
4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide
CID 55911236
4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 55911137
(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
CID 94636730
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119300875
4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813383
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide (CID 110812395) is 4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)NCC(C)(C)C)CC2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide?
The InChIKey is IEOLHQLTIYEZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-19(2,3)13-20-18(24)22-10-8-21(9-11-22)17(23)15-7-6-14(25-4)12-16(15)26-5/h6-7,12H,8-11,13H2,1-5H3,(H,20,24).
What are the key properties of 4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide?
4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 110812395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).