ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate

C17H26N2O2 — CID 112543749

IUPACethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(C)CN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-4-21-17(20)18-16-9-14(3)10-19(12-16)11-15-7-5-13(2)6-8-15/h5-8,14,16H,4,9-12H2,1-3H3,(H,18,20)
InChIKeyYGDNOHKOUJATBS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds4

About ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate

ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate (PubChem CID 112543749) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate
PubChem CID112543749
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(C)CN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-4-21-17(20)18-16-9-14(3)10-19(12-16)11-15-7-5-13(2)6-8-15/h5-8,14,16H,4,9-12H2,1-3H3,(H,18,20)
InChIKeyYGDNOHKOUJATBS-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112543752
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate
CID 112543896
ethyl N-[1-(cyanomethyl)-5-(4-methylphenyl)piperidin-3-yl]carbamate
CID 112544182
benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
CID 112545084
tert-butyl N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994006
methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112543111
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
2,6-dimethyl-4-[(4-methylphenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 135269477
ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate
CID 110823319
ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate
CID 111476618
1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine
CID 83990912

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate (CID 112543749) is ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CC(C)CN(Cc2ccc(C)cc2)C1.
What is the InChIKey of ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate?
The InChIKey is YGDNOHKOUJATBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-17(20)18-16-9-14(3)10-19(12-16)11-15-7-5-13(2)6-8-15/h5-8,14,16H,4,9-12H2,1-3H3,(H,18,20).
What are the key properties of ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate?
ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 2.95, 4 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-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 112543749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).