(2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide

C24H35N5O4 — CID 44583620

IUPAC(2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
SMILESCN1CC(CC(=O)N2CCCC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H35N5O4/c1-26-17-18(16-21(30)28-9-5-6-10-28)15-20(23(31)25-33)22(26)24(32)29-13-11-27(12-14-29)19-7-3-2-4-8-19/h2-4,7-8,18,20,22,33H,5-6,9-17H2,1H3,(H,25,31)/t18?,20-,22-/m0/s1
InChIKeyHOYBUULCSXDSPC-KAOUJKNGSA-N
MW457.58 g/mol
LogP0.79
Rot. Bonds5

About (2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide

(2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 44583620) has the molecular formula C24H35N5O4 and a molecular weight of 457.58 g/mol. Its IUPAC name is (2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
PubChem CID44583620
Molecular FormulaC24H35N5O4
Molecular Weight457.58 g/mol
Exact Mass457.27
IUPAC Name(2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
SMILESCN1CC(CC(=O)N2CCCC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H35N5O4/c1-26-17-18(16-21(30)28-9-5-6-10-28)15-20(23(31)25-33)22(26)24(32)29-13-11-27(12-14-29)19-7-3-2-4-8-19/h2-4,7-8,18,20,22,33H,5-6,9-17H2,1H3,(H,25,31)/t18?,20-,22-/m0/s1
InChIKeyHOYBUULCSXDSPC-KAOUJKNGSA-N
XLogP0.79
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide (CID 44583620) is (2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide is CN1CC(CC(=O)N2CCCC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is HOYBUULCSXDSPC-KAOUJKNGSA-N. The full InChI is InChI=1S/C24H35N5O4/c1-26-17-18(16-21(30)28-9-5-6-10-28)15-20(23(31)25-33)22(26)24(32)29-13-11-27(12-14-29)19-7-3-2-4-8-19/h2-4,7-8,18,20,22,33H,5-6,9-17H2,1H3,(H,25,31)/t18?,20-,22-/m0/s1.
What are the key properties of (2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
(2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-hydroxy-1-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 44583620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).