ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate

C15H22N2O2 — CID 112543896

IUPACethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate
SMILESCCOC(=O)NC1CC(C)CN(c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)16-13-9-12(2)10-17(11-13)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,16,18)
InChIKeyGSDRSXDSOIKPLJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.65
Rot. Bonds3

About ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate

ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate (PubChem CID 112543896) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate
PubChem CID112543896
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate
SMILESCCOC(=O)NC1CC(C)CN(c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)16-13-9-12(2)10-17(11-13)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,16,18)
InChIKeyGSDRSXDSOIKPLJ-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate
CID 112543749
ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112543752
benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
CID 112545084
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890
benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
CID 112545058
ethyl 3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 89462859
ethyl (1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 153306997
ethyl 2-methyl-4-phenylpiperazine-1-carboxylate
CID 110707926
N-(1-phenyl-5-propylpiperidin-3-yl)acetamide
CID 112541852
N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide
CID 112542777
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid
CID 69232733

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate?
The IUPAC name of ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate (CID 112543896) is ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate?
The canonical SMILES for ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate is CCOC(=O)NC1CC(C)CN(c2ccccc2)C1.
What is the InChIKey of ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate?
The InChIKey is GSDRSXDSOIKPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-15(18)16-13-9-12(2)10-17(11-13)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,16,18).
What are the key properties of ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate?
ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112543896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).