tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate

C18H28N2O2 — CID 112544293

IUPACtert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate
SMILESCc1cccc(C2CC(NC(=O)OC(C)(C)C)CN(C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-13-7-6-8-14(9-13)15-10-16(12-20(5)11-15)19-17(21)22-18(2,3)4/h6-9,15-16H,10-12H2,1-5H3,(H,19,21)
InChIKeySJSBGZQKVDRZLG-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.31
Rot. Bonds2

About tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate

tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate (PubChem CID 112544293) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate
PubChem CID112544293
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate
SMILESCc1cccc(C2CC(NC(=O)OC(C)(C)C)CN(C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-13-7-6-8-14(9-13)15-10-16(12-20(5)11-15)19-17(21)22-18(2,3)4/h6-9,15-16H,10-12H2,1-5H3,(H,19,21)
InChIKeySJSBGZQKVDRZLG-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
CID 139378150
tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate
CID 112544288
methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate
CID 170979091
tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112544264
tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
CID 112544487
2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide
CID 112542110
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate
CID 103715317
N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide
CID 112541665
tert-butyl N-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]carbamate;sulfur dioxide
CID 165075706
1,2-dimethyl-4-(3-methylphenyl)pyrrolidine
CID 170012396
(2S)-2-(3-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
CID 125434621

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate (CID 112544293) is tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate is Cc1cccc(C2CC(NC(=O)OC(C)(C)C)CN(C)C2)c1.
What is the InChIKey of tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate?
The InChIKey is SJSBGZQKVDRZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-7-6-8-14(9-13)15-10-16(12-20(5)11-15)19-17(21)22-18(2,3)4/h6-9,15-16H,10-12H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate?
tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112544293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).