benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate

C24H30N2O3 — CID 69499667

IUPACbenzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate
SMILESCC(C)(C)c1ccc(N2CC(C)(C)N(C(=O)OCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C24H30N2O3/c1-23(2,3)19-11-13-20(14-12-19)25-17-24(4,5)26(15-21(25)27)22(28)29-16-18-9-7-6-8-10-18/h6-14H,15-17H2,1-5H3
InChIKeyDGLZXKWYPFBFAG-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.75
Rot. Bonds3

About benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate

benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate (PubChem CID 69499667) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate
PubChem CID69499667
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Namebenzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate
SMILESCC(C)(C)c1ccc(N2CC(C)(C)N(C(=O)OCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C24H30N2O3/c1-23(2,3)19-11-13-20(14-12-19)25-17-24(4,5)26(15-21(25)27)22(28)29-16-18-9-7-6-8-10-18/h6-14H,15-17H2,1-5H3
InChIKeyDGLZXKWYPFBFAG-UHFFFAOYSA-N
XLogP4.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate
CID 90835610
1-O-benzyl 4-O-tert-butyl 2,2-dimethyl-5-oxopiperazine-1,4-dicarboxylate
CID 156708966
benzyl 3-oxo-4-phenyl-1,4-diazepane-1-carboxylate
CID 110873869
(3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 68862416
benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate
CID 110740655
3-tert-butyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 91090343
benzyl 5-hydroxy-2,2-dimethylazepane-1-carboxylate
CID 118230382
benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
CID 22278861
benzyl 2,4-dioxopyrrolidine-1-carboxylate
CID 10847223
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219
1-methyl-2-phenylmethoxycarbonyl-3H-isoindole-1-carboxylic acid
CID 68746255
4-O-benzyl 1-O-tert-butyl 2-(hydroxymethyl)-2-methylpiperazine-1,4-dicarboxylate
CID 178167001

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate?
The IUPAC name of benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate (CID 69499667) is benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate is CC(C)(C)c1ccc(N2CC(C)(C)N(C(=O)OCc3ccccc3)CC2=O)cc1.
What is the InChIKey of benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate?
The InChIKey is DGLZXKWYPFBFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-23(2,3)19-11-13-20(14-12-19)25-17-24(4,5)26(15-21(25)27)22(28)29-16-18-9-7-6-8-10-18/h6-14H,15-17H2,1-5H3.
What are the key properties of benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate?
benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate has a molecular weight of 394.52 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate is sourced from PubChem (CID 69499667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).