(2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

C26H40N4O5 — CID 11962301

IUPAC(2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC(NC(=O)c2ccccc2)CC1)C(C)(C)C
InChIInChI=1S/C26H40N4O5/c1-17(2)15-19(16-21(31)29-35)24(33)28-22(26(3,4)5)25(34)30-13-11-20(12-14-30)27-23(32)18-9-7-6-8-10-18/h6-10,17,19-20,22,35H,11-16H2,1-5H3,(H,27,32)(H,28,33)(H,29,31)/t19-,22-/m1/s1
InChIKeyXAQNPZRMNLXESF-DENIHFKCSA-N
MW488.63 g/mol
LogP2.50
Rot. Bonds9

About (2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

(2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (PubChem CID 11962301) has the molecular formula C26H40N4O5 and a molecular weight of 488.63 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
PubChem CID11962301
Molecular FormulaC26H40N4O5
Molecular Weight488.63 g/mol
Exact Mass488.30
IUPAC Name(2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC(NC(=O)c2ccccc2)CC1)C(C)(C)C
InChIInChI=1S/C26H40N4O5/c1-17(2)15-19(16-21(31)29-35)24(33)28-22(26(3,4)5)25(34)30-13-11-20(12-14-30)27-23(32)18-9-7-6-8-10-18/h6-10,17,19-20,22,35H,11-16H2,1-5H3,(H,27,32)(H,28,33)(H,29,31)/t19-,22-/m1/s1
InChIKeyXAQNPZRMNLXESF-DENIHFKCSA-N
XLogP2.50
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide
CID 11962306
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
N-[1-[2-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide
CID 72567609
N-[1-[2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 72567596
(2R)-N-[(2S)-1-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-hydroxy-2-(2-methylpropyl)butanediamide
CID 154078367
N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218527
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide
CID 123463757
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]benzamide
CID 59679684

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The IUPAC name of (2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (CID 11962301) is (2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for (2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The canonical SMILES for (2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC(NC(=O)c2ccccc2)CC1)C(C)(C)C.
What is the InChIKey of (2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The InChIKey is XAQNPZRMNLXESF-DENIHFKCSA-N. The full InChI is InChI=1S/C26H40N4O5/c1-17(2)15-19(16-21(31)29-35)24(33)28-22(26(3,4)5)25(34)30-13-11-20(12-14-30)27-23(32)18-9-7-6-8-10-18/h6-10,17,19-20,22,35H,11-16H2,1-5H3,(H,27,32)(H,28,33)(H,29,31)/t19-,22-/m1/s1.
What are the key properties of (2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
(2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide has a molecular weight of 488.63 g/mol, XLogP of 2.50, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 11962301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).