tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene

C25H34N2O3 — CID 143255426

IUPACtert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene
SMILESCC(C)(C)OC(=O)N1CCC(CC(N)=O)(c2ccccc2)CC1.Cc1ccccc1
InChIInChI=1S/C18H26N2O3.C7H8/c1-17(2,3)23-16(22)20-11-9-18(10-12-20,13-15(19)21)14-7-5-4-6-8-14;1-7-5-3-2-4-6-7/h4-8H,9-13H2,1-3H3,(H2,19,21);2-6H,1H3
InChIKeyYTIZRTRIRMZAFB-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.83
Rot. Bonds3

About tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene

tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene (PubChem CID 143255426) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene
PubChem CID143255426
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Nametert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene
SMILESCC(C)(C)OC(=O)N1CCC(CC(N)=O)(c2ccccc2)CC1.Cc1ccccc1
InChIInChI=1S/C18H26N2O3.C7H8/c1-17(2,3)23-16(22)20-11-9-18(10-12-20,13-15(19)21)14-7-5-4-6-8-14;1-7-5-3-2-4-6-7/h4-8H,9-13H2,1-3H3,(H2,19,21);2-6H,1H3
InChIKeyYTIZRTRIRMZAFB-UHFFFAOYSA-N
XLogP4.83
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 71623364
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpyrrolidin-3-yl]acetic acid
CID 42544072
tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate
CID 66863325
2-(1-iodo-4-phenylpiperidin-4-yl)acetamide
CID 138702076
tert-butyl 4-(hydroxymethyl)-4-(4-methylsulfanylphenyl)piperidine-1-carboxylate
CID 101043762
tert-butyl 4-(3-bromophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 58993478
tert-butyl 4-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]-4-phenylpiperidine-1-carboxylate
CID 168707955
tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate
CID 25133272
tert-butyl 6-(aminomethyl)-6-phenyl-2-azaspiro[3.3]heptane-2-carboxylate;hydrochloride
CID 138039778
tert-butyl 4-[(2-oxo-4-sulfamoylpyrrolidin-1-yl)methyl]-4-phenylpiperidine-1-carboxylate
CID 168716791
tert-butyl 3-(2-methylsulfonyloxyethyl)-3-phenylpyrrolidine-1-carboxylate
CID 18464415
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene?
The IUPAC name of tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene (CID 143255426) is tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene.
What is the SMILES notation for tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene?
The canonical SMILES for tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene is CC(C)(C)OC(=O)N1CCC(CC(N)=O)(c2ccccc2)CC1.Cc1ccccc1.
What is the InChIKey of tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene?
The InChIKey is YTIZRTRIRMZAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.C7H8/c1-17(2,3)23-16(22)20-11-9-18(10-12-20,13-15(19)21)14-7-5-4-6-8-14;1-7-5-3-2-4-6-7/h4-8H,9-13H2,1-3H3,(H2,19,21);2-6H,1H3.
What are the key properties of tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene?
tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene has a molecular weight of 410.56 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene is sourced from PubChem (CID 143255426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).