tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate

C17H25N3O5 — CID 51963673

IUPACtert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H25N3O5/c1-12(18-14(21)13-5-10-24-11-13)15(22)19-6-8-20(9-7-19)16(23)25-17(2,3)4/h5,10-12H,6-9H2,1-4H3,(H,18,21)/t12-/m0/s1
InChIKeyOHVXGTWTGXVIRC-LBPRGKRZSA-N
MW351.40 g/mol
LogP1.48
Rot. Bonds3

About tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate

tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate (PubChem CID 51963673) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate
PubChem CID51963673
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Nametert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H25N3O5/c1-12(18-14(21)13-5-10-24-11-13)15(22)19-6-8-20(9-7-19)16(23)25-17(2,3)4/h5,10-12H,6-9H2,1-4H3,(H,18,21)/t12-/m0/s1
InChIKeyOHVXGTWTGXVIRC-LBPRGKRZSA-N
XLogP1.48
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
CID 81003529
tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 75384277
tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate
CID 49042732
2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid
CID 129467141
tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 53367705
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
tritert-butyl 10-[2-(ethylcarbamoylamino)propanoyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 44613834
N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51963357
ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
CID 2667430
tert-butyl N-(furan-3-carbonyl)carbamate
CID 176560288
tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate
CID 103778464
tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55560389

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate (CID 51963673) is tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate is C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate?
The InChIKey is OHVXGTWTGXVIRC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-12(18-14(21)13-5-10-24-11-13)15(22)19-6-8-20(9-7-19)16(23)25-17(2,3)4/h5,10-12H,6-9H2,1-4H3,(H,18,21)/t12-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate?
tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 51963673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).