[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate

C23H31NO4 — CID 71874667

IUPAC[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate
SMILESCc1cc(C)c(C(=O)COC(=O)C2CCCCN2C(=O)C2CCCC2)cc1C
InChIInChI=1S/C23H31NO4/c1-15-12-17(3)19(13-16(15)2)21(25)14-28-23(27)20-10-6-7-11-24(20)22(26)18-8-4-5-9-18/h12-13,18,20H,4-11,14H2,1-3H3
InChIKeyLAPTVUZINOQIGN-UHFFFAOYSA-N
MW385.50 g/mol
LogP3.91
Rot. Bonds5

About [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate (PubChem CID 71874667) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate
PubChem CID71874667
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate
SMILESCc1cc(C)c(C(=O)COC(=O)C2CCCCN2C(=O)C2CCCC2)cc1C
InChIInChI=1S/C23H31NO4/c1-15-12-17(3)19(13-16(15)2)21(25)14-28-23(27)20-10-6-7-11-24(20)22(26)18-8-4-5-9-18/h12-13,18,20H,4-11,14H2,1-3H3
InChIKeyLAPTVUZINOQIGN-UHFFFAOYSA-N
XLogP3.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperidine-2-carboxamide
CID 60681090
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
(3-methyl-1,2-oxazol-5-yl)methyl (2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
CID 97004960
(3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
CID 97004961
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
hexyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 91695515
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745
ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate
CID 134999355
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
[2-(3,4-dimethylphenyl)-2-oxoethyl] cyclobutanecarboxylate
CID 2418966
2-O-[2-(4-bromo-3-methylphenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 59166386

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate (CID 71874667) is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate is Cc1cc(C)c(C(=O)COC(=O)C2CCCCN2C(=O)C2CCCC2)cc1C.
What is the InChIKey of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate?
The InChIKey is LAPTVUZINOQIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-15-12-17(3)19(13-16(15)2)21(25)14-28-23(27)20-10-6-7-11-24(20)22(26)18-8-4-5-9-18/h12-13,18,20H,4-11,14H2,1-3H3.
What are the key properties of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate?
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate has a molecular weight of 385.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(cyclopentanecarbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 71874667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).