[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

C24H30N2O5 — CID 8575600

IUPAC[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H30N2O5/c1-17(2)22(25-23(28)20-9-6-14-30-20)24(29)31-16-21(27)26-12-10-19(11-13-26)15-18-7-4-3-5-8-18/h3-9,14,17,19,22H,10-13,15-16H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyYXWNFGXIHMNTAP-QFIPXVFZSA-N
MW426.51 g/mol
LogP3.06
Rot. Bonds8

About [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (PubChem CID 8575600) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
PubChem CID8575600
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H30N2O5/c1-17(2)22(25-23(28)20-9-6-14-30-20)24(29)31-16-21(27)26-12-10-19(11-13-26)15-18-7-4-3-5-8-18/h3-9,14,17,19,22H,10-13,15-16H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyYXWNFGXIHMNTAP-QFIPXVFZSA-N
XLogP3.06
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate with MolForge

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Related Compounds

ethyl (2S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 97260919
N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide;hydrochloride
CID 119546608
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565951
cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 51491143
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566376
(2S,3S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099788
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566447
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 4636938
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523991
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
(2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-3-methylbutanoate
CID 7588435
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55306477

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (CID 8575600) is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The InChIKey is YXWNFGXIHMNTAP-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-17(2)22(25-23(28)20-9-6-14-30-20)24(29)31-16-21(27)26-12-10-19(11-13-26)15-18-7-4-3-5-8-18/h3-9,14,17,19,22H,10-13,15-16H2,1-2H3,(H,25,28)/t22-/m0/s1.
What are the key properties of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate has a molecular weight of 426.51 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is sourced from PubChem (CID 8575600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).