tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate

C20H31N3O5 — CID 75384277

IUPACtert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C20H31N3O5/c1-14(2)12-16(21-19(26)28-20(3,4)5)18(25)23-9-7-22(8-10-23)17(24)15-6-11-27-13-15/h6,11,13-14,16H,7-10,12H2,1-5H3,(H,21,26)/t16-/m0/s1
InChIKeyJOQNKFUOZBRRHA-INIZCTEOSA-N
MW393.48 g/mol
LogP2.50
Rot. Bonds5

About tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 75384277) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID75384277
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Nametert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C20H31N3O5/c1-14(2)12-16(21-19(26)28-20(3,4)5)18(25)23-9-7-22(8-10-23)17(24)15-6-11-27-13-15/h6,11,13-14,16H,7-10,12H2,1-5H3,(H,21,26)/t16-/m0/s1
InChIKeyJOQNKFUOZBRRHA-INIZCTEOSA-N
XLogP2.50
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate
CID 51963673
tert-butyl N-[4-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamate
CID 57169179
tert-butyl N-[1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 57044275
tert-butyl N-[4-methyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamate
CID 87010955
tert-butyl N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 10709372
tert-butyl N-[3-methyl-1-[(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]carbamate
CID 110625600
N-[1-[4-(furan-3-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 134021905
N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide
CID 42955051
tert-butyl N-[(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]carbamate
CID 40872406
tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176
tert-butyl N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 42897084
1-[1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 3812419

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate (CID 75384277) is tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is JOQNKFUOZBRRHA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-14(2)12-16(21-19(26)28-20(3,4)5)18(25)23-9-7-22(8-10-23)17(24)15-6-11-27-13-15/h6,11,13-14,16H,7-10,12H2,1-5H3,(H,21,26)/t16-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 393.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 75384277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).