tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate

C17H25N3O5 — CID 108548132

IUPACtert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H25N3O5/c1-17(2,3)25-16(23)18-11-14(21)19-12-6-8-20(9-7-12)15(22)13-5-4-10-24-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyRLZQYUFSWUYYBY-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.53
Rot. Bonds4

About tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate (PubChem CID 108548132) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
PubChem CID108548132
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Nametert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H25N3O5/c1-17(2,3)25-16(23)18-11-14(21)19-12-6-8-20(9-7-12)15(22)13-5-4-10-24-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyRLZQYUFSWUYYBY-UHFFFAOYSA-N
XLogP1.53
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-oxo-2-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548176
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
tert-butyl N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108543095
tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 96538034
tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548177
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carboxylate
CID 108558897
[3-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108548117
tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916770
tert-butyl N-[3-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]carbamate
CID 108543198
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558901

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate (CID 108548132) is tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is RLZQYUFSWUYYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-17(2,3)25-16(23)18-11-14(21)19-12-6-8-20(9-7-12)15(22)13-5-4-10-24-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,23)(H,19,21).
What are the key properties of tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 351.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108548132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).