tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate

C18H28N2O4 — CID 97241578

IUPACtert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate
SMILESCc1ccc(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)o1
InChIInChI=1S/C18H28N2O4/c1-12-10-14(19-17(22)24-18(3,4)5)8-9-20(12)16(21)11-15-7-6-13(2)23-15/h6-7,12,14H,8-11H2,1-5H3,(H,19,22)/t12-,14-/m0/s1
InChIKeyZUSBSOXWYCWGFM-JSGCOSHPSA-N
MW336.43 g/mol
LogP3.03
Rot. Bonds3

About tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate

tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate (PubChem CID 97241578) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate
PubChem CID97241578
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nametert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate
SMILESCc1ccc(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)o1
InChIInChI=1S/C18H28N2O4/c1-12-10-14(19-17(22)24-18(3,4)5)8-9-20(12)16(21)11-15-7-6-13(2)23-15/h6-7,12,14H,8-11H2,1-5H3,(H,19,22)/t12-,14-/m0/s1
InChIKeyZUSBSOXWYCWGFM-JSGCOSHPSA-N
XLogP3.03
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylic acid
CID 107239085
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
tert-butyl N-[1-[(E)-3-(2-tert-butyl-1,3-thiazol-5-yl)prop-2-enoyl]-2-methylpiperidin-4-yl]carbamate
CID 75430677
tert-butyl N-[(3S)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]carbamate
CID 139674621
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
CID 107238985
tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate
CID 55868751
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
tert-butyl N-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395545
tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate
CID 129493172
tert-butyl N-[1-(5-bromopyrimidin-2-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395587

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate (CID 97241578) is tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate is Cc1ccc(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)o1.
What is the InChIKey of tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate?
The InChIKey is ZUSBSOXWYCWGFM-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-12-10-14(19-17(22)24-18(3,4)5)8-9-20(12)16(21)11-15-7-6-13(2)23-15/h6-7,12,14H,8-11H2,1-5H3,(H,19,22)/t12-,14-/m0/s1.
What are the key properties of tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate?
tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate has a molecular weight of 336.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,4S)-2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 97241578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).