tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate

C19H28N2O3 — CID 95775135

IUPACtert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate
SMILESCc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-13-6-8-15(9-7-13)17(22)21-11-10-16(14(2)12-21)20-18(23)24-19(3,4)5/h6-9,14,16H,10-12H2,1-5H3,(H,20,23)/t14-,16-/m1/s1
InChIKeyWCSLZVMYGUQHLS-GDBMZVCRSA-N
MW332.44 g/mol
LogP3.37
Rot. Bonds2

About tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate

tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate (PubChem CID 95775135) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate
PubChem CID95775135
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate
SMILESCc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-13-6-8-15(9-7-13)17(22)21-11-10-16(14(2)12-21)20-18(23)24-19(3,4)5/h6-9,14,16H,10-12H2,1-5H3,(H,20,23)/t14-,16-/m1/s1
InChIKeyWCSLZVMYGUQHLS-GDBMZVCRSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 114498414
tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate
CID 95775102
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
[3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 114498148
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-[1-[4-(4-methylbenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55956466
tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate
CID 119035699
tert-butyl N-[(3S)-1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 166934663
tert-butyl 3-(4-methylbenzoyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 172639821
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate (CID 95775135) is tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate is Cc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1.
What is the InChIKey of tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate?
The InChIKey is WCSLZVMYGUQHLS-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-6-8-15(9-7-13)17(22)21-11-10-16(14(2)12-21)20-18(23)24-19(3,4)5/h6-9,14,16H,10-12H2,1-5H3,(H,20,23)/t14-,16-/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate?
tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate has a molecular weight of 332.44 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 95775135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).