N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide

C25H33N3O2 — CID 143766184

IUPACN-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide
SMILESCc1ccc(C(=O)N2CCN(Cc3cccc(C(=O)NC(C)(C)C)c3)CC2)c(C)c1
InChIInChI=1S/C25H33N3O2/c1-18-9-10-22(19(2)15-18)24(30)28-13-11-27(12-14-28)17-20-7-6-8-21(16-20)23(29)26-25(3,4)5/h6-10,15-16H,11-14,17H2,1-5H3,(H,26,29)
InChIKeyJERUCYYZQVQHCR-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.79
Rot. Bonds4

About N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide

N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide (PubChem CID 143766184) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide
PubChem CID143766184
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide
SMILESCc1ccc(C(=O)N2CCN(Cc3cccc(C(=O)NC(C)(C)C)c3)CC2)c(C)c1
InChIInChI=1S/C25H33N3O2/c1-18-9-10-22(19(2)15-18)24(30)28-13-11-27(12-14-28)17-20-7-6-8-21(16-20)23(29)26-25(3,4)5/h6-10,15-16H,11-14,17H2,1-5H3,(H,26,29)
InChIKeyJERUCYYZQVQHCR-UHFFFAOYSA-N
XLogP3.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[[4-[4-(butylcarbamoylamino)-2,3-difluorobenzoyl]piperazin-1-yl]methyl]benzamide
CID 25191626
(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724803
N-tert-butyl-3-[[4-[4-(butylcarbamoylamino)-3-chlorobenzoyl]piperazin-1-yl]methyl]benzamide
CID 25191507
(2,4-dimethylphenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331434
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 19292997
cyclopropylmethyl N-[4-[4-[[3-(tert-butylcarbamoyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]carbamate;2,2,2-trifluoroacetic acid
CID 66897294
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
N-(1-amino-2-methylpropan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119523575
2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 27850854
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55361222
[4-(2-chloroethyl)piperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 63395254
3-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid
CID 122028905

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide (CID 143766184) is N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide is Cc1ccc(C(=O)N2CCN(Cc3cccc(C(=O)NC(C)(C)C)c3)CC2)c(C)c1.
What is the InChIKey of N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is JERUCYYZQVQHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-18-9-10-22(19(2)15-18)24(30)28-13-11-27(12-14-28)17-20-7-6-8-21(16-20)23(29)26-25(3,4)5/h6-10,15-16H,11-14,17H2,1-5H3,(H,26,29).
What are the key properties of N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide?
N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 407.56 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 143766184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).