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

C18H25N3O3 — CID 59117548

IUPAC(2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NO)C1CCCN[C@@H]1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c22-17(20-24)15-7-4-10-19-16(15)18(23)21-11-8-14(9-12-21)13-5-2-1-3-6-13/h1-3,5-6,14-16,19,24H,4,7-12H2,(H,20,22)/t15?,16-/m0/s1
InChIKeyKNBRKSHLLINANA-LYKKTTPLSA-N
MW331.42 g/mol
LogP1.27
Rot. Bonds3

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

(2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 59117548) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID59117548
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NO)C1CCCN[C@@H]1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c22-17(20-24)15-7-4-10-19-16(15)18(23)21-11-8-14(9-12-21)13-5-2-1-3-6-13/h1-3,5-6,14-16,19,24H,4,7-12H2,(H,20,22)/t15?,16-/m0/s1
InChIKeyKNBRKSHLLINANA-LYKKTTPLSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide (CID 59117548) is (2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide is O=C(NO)C1CCCN[C@@H]1C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is KNBRKSHLLINANA-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17(20-24)15-7-4-10-19-16(15)18(23)21-11-8-14(9-12-21)13-5-2-1-3-6-13/h1-3,5-6,14-16,19,24H,4,7-12H2,(H,20,22)/t15?,16-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide?
(2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 59117548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).