tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate

C17H26N2O4 — CID 71632340

IUPACtert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCN(CC(=O)c2ccco2)C1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-10-13-6-4-8-19(11-13)12-14(20)15-7-5-9-22-15/h5,7,9,13H,4,6,8,10-12H2,1-3H3,(H,18,21)
InChIKeyILRUKRPSABJZQE-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.70
Rot. Bonds5

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

tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate (PubChem CID 71632340) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate
PubChem CID71632340
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCN(CC(=O)c2ccco2)C1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-10-13-6-4-8-19(11-13)12-14(20)15-7-5-9-22-15/h5,7,9,13H,4,6,8,10-12H2,1-3H3,(H,18,21)
InChIKeyILRUKRPSABJZQE-UHFFFAOYSA-N
XLogP2.70
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[(2R)-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]carbamate
CID 97174574
tert-butyl N-[[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]methyl]carbamate
CID 97174464
1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94201565
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903
tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate
CID 97167011
tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 97174691
1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960760
tert-butyl N-[[1-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-3-yl]methyl]carbamate
CID 71632467
tert-butyl N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 66805430
tert-butyl N-[[(3S)-1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]methyl]carbamate
CID 95044081
tert-butyl N-[[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methyl]carbamate
CID 97174474
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566396

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate (CID 71632340) is tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCN(CC(=O)c2ccco2)C1.
What is the InChIKey of tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate?
The InChIKey is ILRUKRPSABJZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-10-13-6-4-8-19(11-13)12-14(20)15-7-5-9-22-15/h5,7,9,13H,4,6,8,10-12H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate?
tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate has a molecular weight of 322.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 71632340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).