lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate

C19H26LiN3O5 — CID 23675499

IUPAClithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate
SMILESO=C([O-])[C@H](CC1CCCCC1)NC(=O)N1CCN(C(=O)c2ccco2)CC1.[Li+]
InChIInChI=1S/C19H27N3O5.Li/c23-17(16-7-4-12-27-16)21-8-10-22(11-9-21)19(26)20-15(18(24)25)13-14-5-2-1-3-6-14;/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H,20,26)(H,24,25);/q;+1/p-1/t15-;/m0./s1
InChIKeyRTZJJOBTIZMRJK-RSAXXLAASA-M
MW383.37 g/mol
LogP-2.16
Rot. Bonds5

About lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate

lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate (PubChem CID 23675499) has the molecular formula C19H26LiN3O5 and a molecular weight of 383.37 g/mol. Its IUPAC name is lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Namelithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate
PubChem CID23675499
Molecular FormulaC19H26LiN3O5
Molecular Weight383.37 g/mol
Exact Mass383.20
IUPAC Namelithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate
SMILESO=C([O-])[C@H](CC1CCCCC1)NC(=O)N1CCN(C(=O)c2ccco2)CC1.[Li+]
InChIInChI=1S/C19H27N3O5.Li/c23-17(16-7-4-12-27-16)21-8-10-22(11-9-21)19(26)20-15(18(24)25)13-14-5-2-1-3-6-14;/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H,20,26)(H,24,25);/q;+1/p-1/t15-;/m0./s1
InChIKeyRTZJJOBTIZMRJK-RSAXXLAASA-M
XLogP-2.16
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 5-2.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate with MolForge

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Related Compounds

[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914108
azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-(2-cyclohexyl-2-hydroxyethyl)-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119130501
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030061
N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42345402
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
3-(cyclopentylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109013650
N'-(2-cyclohexylethyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111167054
4-(furan-2-carbonyl)-N-(6-hydroxy-6-methylheptan-2-yl)-1,4-diazepane-1-carboxamide
CID 119066954

Frequently Asked Questions

What is the IUPAC name of lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate?
The IUPAC name of lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate (CID 23675499) is lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate.
What is the SMILES notation for lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate?
The canonical SMILES for lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate is O=C([O-])[C@H](CC1CCCCC1)NC(=O)N1CCN(C(=O)c2ccco2)CC1.[Li+].
What is the InChIKey of lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate?
The InChIKey is RTZJJOBTIZMRJK-RSAXXLAASA-M. The full InChI is InChI=1S/C19H27N3O5.Li/c23-17(16-7-4-12-27-16)21-8-10-22(11-9-21)19(26)20-15(18(24)25)13-14-5-2-1-3-6-14;/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H,20,26)(H,24,25);/q;+1/p-1/t15-;/m0./s1.
What are the key properties of lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate?
lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate has a molecular weight of 383.37 g/mol, XLogP of -2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate is sourced from PubChem (CID 23675499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).