(2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide

C23H32N4O4 — CID 45487342

IUPAC(2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N(C)C1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C23H32N4O4/c1-15(2)22(29)26(3)18-13-19(21(28)25-31)20(24-14-18)23(30)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/m0/s1
InChIKeyVVWOQMJGNBQWHG-YPJRHXLCSA-N
MW428.53 g/mol
LogP1.27
Rot. Bonds5

About (2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide

(2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 45487342) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is (2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide
PubChem CID45487342
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name(2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N(C)C1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C23H32N4O4/c1-15(2)22(29)26(3)18-13-19(21(28)25-31)20(24-14-18)23(30)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/m0/s1
InChIKeyVVWOQMJGNBQWHG-YPJRHXLCSA-N
XLogP1.27
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 51.27
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-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide (CID 45487342) is (2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide is CC(C)C(=O)N(C)C1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)NO)C1.
What is the InChIKey of (2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is VVWOQMJGNBQWHG-YPJRHXLCSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-15(2)22(29)26(3)18-13-19(21(28)25-31)20(24-14-18)23(30)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/m0/s1.
What are the key properties of (2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide?
(2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-hydroxy-5-[methyl(2-methylpropanoyl)amino]-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 45487342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).