(4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone

C24H32N2O — CID 110657689

IUPAC(4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC(C)N1Cc1ccccc1
InChIInChI=1S/C24H32N2O/c1-18-15-25(16-19(2)26(18)17-20-9-7-6-8-10-20)23(27)21-11-13-22(14-12-21)24(3,4)5/h6-14,18-19H,15-17H2,1-5H3
InChIKeyICABATNROMUCPC-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.72
Rot. Bonds3

About (4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone

(4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone (PubChem CID 110657689) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is (4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
PubChem CID110657689
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name(4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC(C)N1Cc1ccccc1
InChIInChI=1S/C24H32N2O/c1-18-15-25(16-19(2)26(18)17-20-9-7-6-8-10-20)23(27)21-11-13-22(14-12-21)24(3,4)5/h6-14,18-19H,15-17H2,1-5H3
InChIKeyICABATNROMUCPC-UHFFFAOYSA-N
XLogP4.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone
CID 110657704
4-[[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259792
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
CID 110393858
4-[[(2S,6R)-2,6-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzoic acid
CID 135259823
ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate
CID 110393902
4-[[(2S,6R)-2,6-dimethyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl]benzoic acid
CID 118367030
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 110393863
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 108536427
4-[[(2S,6R)-2,6-dimethyl-4-(2-pyridin-3-ylbenzoyl)piperazin-1-yl]methyl]benzoic acid
CID 135259926
1-benzyl-4-(4-tert-butylphenyl)pyrrolidine-3-carboxylic acid
CID 75217589

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone (CID 110657689) is (4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone is CC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC(C)N1Cc1ccccc1.
What is the InChIKey of (4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone?
The InChIKey is ICABATNROMUCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-18-15-25(16-19(2)26(18)17-20-9-7-6-8-10-20)23(27)21-11-13-22(14-12-21)24(3,4)5/h6-14,18-19H,15-17H2,1-5H3.
What are the key properties of (4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone?
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone has a molecular weight of 364.53 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 110657689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).