(2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide

C17H24N4O3 — CID 141117001

IUPAC(2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NO)[C@H]1CCCN[C@@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N4O3/c22-16(19-24)14-7-4-8-18-15(14)17(23)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-3,5-6,14-15,18,24H,4,7-12H2,(H,19,22)/t14-,15-/m0/s1
InChIKeyMAKVGXPRQYOHAM-GJZGRUSLSA-N
MW332.40 g/mol
LogP0.21
Rot. Bonds3

About (2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide

(2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 141117001) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
PubChem CID141117001
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NO)[C@H]1CCCN[C@@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N4O3/c22-16(19-24)14-7-4-8-18-15(14)17(23)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-3,5-6,14-15,18,24H,4,7-12H2,(H,19,22)/t14-,15-/m0/s1
InChIKeyMAKVGXPRQYOHAM-GJZGRUSLSA-N
XLogP0.21
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.21
H-Bond Donors ≤ 53
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 (2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide (CID 141117001) is (2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide is O=C(NO)[C@H]1CCCN[C@@H]1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is MAKVGXPRQYOHAM-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-16(19-24)14-7-4-8-18-15(14)17(23)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-3,5-6,14-15,18,24H,4,7-12H2,(H,19,22)/t14-,15-/m0/s1.
What are the key properties of (2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
(2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 141117001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).