3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate

C23H31NO4 — CID 15380474

IUPAC3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
SMILESO=C(C(=O)N1CCCCC1C(=O)OCCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C23H31NO4/c25-21(19-13-5-2-6-14-19)22(26)24-16-8-7-15-20(24)23(27)28-17-9-12-18-10-3-1-4-11-18/h1,3-4,10-11,19-20H,2,5-9,12-17H2
InChIKeyOQVHIQBTTGZGJM-UHFFFAOYSA-N
MW385.50 g/mol
LogP3.69
Rot. Bonds7

About 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate

3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate (PubChem CID 15380474) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
PubChem CID15380474
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
SMILESO=C(C(=O)N1CCCCC1C(=O)OCCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C23H31NO4/c25-21(19-13-5-2-6-14-19)22(26)24-16-8-7-15-20(24)23(27)28-17-9-12-18-10-3-1-4-11-18/h1,3-4,10-11,19-20H,2,5-9,12-17H2
InChIKeyOQVHIQBTTGZGJM-UHFFFAOYSA-N
XLogP3.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Beauvericin
CID 3007984
1,3-Diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
CID 445644
(3S,6R,9S,12R,15S,18R,21S,24R)-6,18-dibenzyl-3,9,15,21-tetraisobutyl-4,10,12,16,22,24-hexamethyl-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclo-tetracosane-2,5,8,11,14,17,20,23-octaone
CID 159590
[(1R)-1-cyclohexyl-3-phenylpropyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 445645
1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carboxylic acid 3-phenyl-propyl ester
CID 9798935
1-(2-Oxo-2-phenyl-acetyl)-piperidine-2-carboxylic acid 4-phenyl-1-(3-phenyl-propyl)-butyl ester
CID 9871036
1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carboxylic acid 4-phenyl-1-(3-phenyl-propyl)-butyl ester
CID 9891805
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid 1-phenethyl-3-phenyl-propyl ester
CID 15380471
1-(2-Cyclohexyl-2-oxo-acetyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 21027759
1-(3,3-Dimethyl-2-oxo-butyryl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 44365151
1,3-Diphenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 44338317
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid 3,3-diphenyl-propyl ester
CID 44295523

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate?
The IUPAC name of 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate (CID 15380474) is 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate.
What is the SMILES notation for 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate?
The canonical SMILES for 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate is O=C(C(=O)N1CCCCC1C(=O)OCCCc1ccccc1)C1CCCCC1.
What is the InChIKey of 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate?
The InChIKey is OQVHIQBTTGZGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c25-21(19-13-5-2-6-14-19)22(26)24-16-8-7-15-20(24)23(27)28-17-9-12-18-10-3-1-4-11-18/h1,3-4,10-11,19-20H,2,5-9,12-17H2.
What are the key properties of 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate?
3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate has a molecular weight of 385.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate is sourced from PubChem (CID 15380474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).