tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C26H42N4O5 — CID 55995810

IUPACtert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C1
InChIInChI=1S/C26H42N4O5/c1-19(2)30(25(33)35-26(4,5)6)18-21-9-7-11-29(17-21)20(3)23(31)27-12-14-28(15-13-27)24(32)22-10-8-16-34-22/h8,10,16,19-21H,7,9,11-15,17-18H2,1-6H3
InChIKeyNBVLRFFSLSXVDB-UHFFFAOYSA-N
MW490.65 g/mol
LogP3.31
Rot. Bonds6

About tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 55995810) has the molecular formula C26H42N4O5 and a molecular weight of 490.65 g/mol. Its IUPAC name is tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID55995810
Molecular FormulaC26H42N4O5
Molecular Weight490.65 g/mol
Exact Mass490.32
IUPAC Nametert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C1
InChIInChI=1S/C26H42N4O5/c1-19(2)30(25(33)35-26(4,5)6)18-21-9-7-11-29(17-21)20(3)23(31)27-12-14-28(15-13-27)24(32)22-10-8-16-34-22/h8,10,16,19-21H,7,9,11-15,17-18H2,1-6H3
InChIKeyNBVLRFFSLSXVDB-UHFFFAOYSA-N
XLogP3.31
TPSA86.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566373
tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826224
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
tert-butyl N-[[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 60568271
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 134062689
tert-butyl N-propan-2-yl-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 55826786
tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate
CID 56514556
tert-butyl (3S)-3-[[[2-(furan-2-yl)-2-oxoethyl]-methylamino]methyl]piperidine-1-carboxylate
CID 97167353
tert-butyl N-[[(3R)-1-[(2R)-2-but-3-enoxypropanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 95169714
tert-butyl N-[[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825194
tert-butyl N-[[1-(4-bromo-3,5-dimethoxybenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825835
tert-butyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553709

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 55995810) is tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is CC(C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C1.
What is the InChIKey of tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is NBVLRFFSLSXVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O5/c1-19(2)30(25(33)35-26(4,5)6)18-21-9-7-11-29(17-21)20(3)23(31)27-12-14-28(15-13-27)24(32)22-10-8-16-34-22/h8,10,16,19-21H,7,9,11-15,17-18H2,1-6H3.
What are the key properties of tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 490.65 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 55995810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).