benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate

C24H28N2O4 — CID 90835610

IUPACbenzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate
SMILESCC1(C)CN(c2ccc(C3(O)CCC3)cc2)C(=O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H28N2O4/c1-23(2)17-25(20-11-9-19(10-12-20)24(29)13-6-14-24)21(27)15-26(23)22(28)30-16-18-7-4-3-5-8-18/h3-5,7-12,29H,6,13-17H2,1-2H3
InChIKeyUPEZMXJNKGXKHF-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.82
Rot. Bonds4

About benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate

benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate (PubChem CID 90835610) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate
PubChem CID90835610
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Namebenzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate
SMILESCC1(C)CN(c2ccc(C3(O)CCC3)cc2)C(=O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H28N2O4/c1-23(2)17-25(20-11-9-19(10-12-20)24(29)13-6-14-24)21(27)15-26(23)22(28)30-16-18-7-4-3-5-8-18/h3-5,7-12,29H,6,13-17H2,1-2H3
InChIKeyUPEZMXJNKGXKHF-UHFFFAOYSA-N
XLogP3.82
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylate
CID 69499667
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
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219
benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
benzyl 5-hydroxy-2,2-dimethylazepane-1-carboxylate
CID 118230382
benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate
CID 71680317
benzyl 4-hydroxy-4-(4-methylsulfanylphenyl)piperidine-1-carboxylate
CID 54223724
(3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 68862416
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate?
The IUPAC name of benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate (CID 90835610) is benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate is CC1(C)CN(c2ccc(C3(O)CCC3)cc2)C(=O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate?
The InChIKey is UPEZMXJNKGXKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-23(2)17-25(20-11-9-19(10-12-20)24(29)13-6-14-24)21(27)15-26(23)22(28)30-16-18-7-4-3-5-8-18/h3-5,7-12,29H,6,13-17H2,1-2H3.
What are the key properties of benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate?
benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[4-(1-hydroxycyclobutyl)phenyl]-2,2-dimethyl-5-oxopiperazine-1-carboxylate is sourced from PubChem (CID 90835610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).