tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate

C17H26N2O4 — CID 97167011

IUPACtert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)c2ccco2)C1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18(4)13-7-5-9-19(11-13)12-14(20)15-8-6-10-22-15/h6,8,10,13H,5,7,9,11-12H2,1-4H3/t13-/m1/s1
InChIKeyHLQHLNRLMSLHEH-CYBMUJFWSA-N
MW322.40 g/mol
LogP2.79
Rot. Bonds4

About tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate

tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate (PubChem CID 97167011) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate
PubChem CID97167011
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)c2ccco2)C1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18(4)13-7-5-9-19(11-13)12-14(20)15-8-6-10-22-15/h6,8,10,13H,5,7,9,11-12H2,1-4H3/t13-/m1/s1
InChIKeyHLQHLNRLMSLHEH-CYBMUJFWSA-N
XLogP2.79
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]carbamate
CID 97167013
2-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]acetic acid
CID 66566410
tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate
CID 71632340
1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102960348
tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate
CID 97167017
1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960760
1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94201565
tert-butyl N-[[(2R)-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]carbamate
CID 97174574
tert-butyl N-[(3R)-1-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-yl]-N-methylcarbamate
CID 97167031
2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid
CID 66566879
tert-butyl N-(1-benzylpiperidin-3-yl)-N-tert-butylcarbamate
CID 140627422
tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate
CID 86792769

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate (CID 97167011) is tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)c2ccco2)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate?
The InChIKey is HLQHLNRLMSLHEH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18(4)13-7-5-9-19(11-13)12-14(20)15-8-6-10-22-15/h6,8,10,13H,5,7,9,11-12H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate?
tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate has a molecular weight of 322.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 97167011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).