trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C24H34N4O4 — CID 11751106

IUPACtrans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(NO)[C@H]1CC(CC(=O)N2CCCC2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H34N4O4/c29-22(27-10-4-5-11-27)17-18-8-9-20(21(16-18)23(30)25-32)24(31)28-14-12-26(13-15-28)19-6-2-1-3-7-19/h1-3,6-7,18,20-21,32H,4-5,8-17H2,(H,25,30)/t18?,20-,21-/m0/s1
InChIKeyJQTQTEMWCRRECT-LLQWEQGGSA-N
MW442.56 g/mol
LogP1.89
Rot. Bonds5

About trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 11751106) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID11751106
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Nametrans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(NO)[C@H]1CC(CC(=O)N2CCCC2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H34N4O4/c29-22(27-10-4-5-11-27)17-18-8-9-20(21(16-18)23(30)25-32)24(31)28-14-12-26(13-15-28)19-6-2-1-3-7-19/h1-3,6-7,18,20-21,32H,4-5,8-17H2,(H,25,30)/t18?,20-,21-/m0/s1
InChIKeyJQTQTEMWCRRECT-LLQWEQGGSA-N
XLogP1.89
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.89
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 11751106) is trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is O=C(NO)[C@H]1CC(CC(=O)N2CCCC2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is JQTQTEMWCRRECT-LLQWEQGGSA-N. The full InChI is InChI=1S/C24H34N4O4/c29-22(27-10-4-5-11-27)17-18-8-9-20(21(16-18)23(30)25-32)24(31)28-14-12-26(13-15-28)19-6-2-1-3-7-19/h1-3,6-7,18,20-21,32H,4-5,8-17H2,(H,25,30)/t18?,20-,21-/m0/s1.
What are the key properties of trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 11751106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).