(2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide

C24H30N4O4 — CID 87348918

IUPAC(2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide
SMILESCN1C[C@@H](Oc2ccccn2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H30N4O4/c1-27-16-19(32-21-9-5-6-12-25-21)15-20(23(29)26-31)22(27)24(30)28-13-10-18(11-14-28)17-7-3-2-4-8-17/h2-9,12,18-20,22,31H,10-11,13-16H2,1H3,(H,26,29)/t19-,20-,22-/m0/s1
InChIKeyBMQUMRIWGHAWSV-ONTIZHBOSA-N
MW438.53 g/mol
LogP2.06
Rot. Bonds5

About (2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide

(2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide (PubChem CID 87348918) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is (2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide
PubChem CID87348918
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name(2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide
SMILESCN1C[C@@H](Oc2ccccn2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H30N4O4/c1-27-16-19(32-21-9-5-6-12-25-21)15-20(23(29)26-31)22(27)24(30)28-13-10-18(11-14-28)17-7-3-2-4-8-17/h2-9,12,18-20,22,31H,10-11,13-16H2,1H3,(H,26,29)/t19-,20-,22-/m0/s1
InChIKeyBMQUMRIWGHAWSV-ONTIZHBOSA-N
XLogP2.06
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.06
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'}

Analyze (2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide?
The IUPAC name of (2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide (CID 87348918) is (2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide?
The canonical SMILES for (2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide is CN1C[C@@H](Oc2ccccn2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide?
The InChIKey is BMQUMRIWGHAWSV-ONTIZHBOSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-27-16-19(32-21-9-5-6-12-25-21)15-20(23(29)26-31)22(27)24(30)28-13-10-18(11-14-28)17-7-3-2-4-8-17/h2-9,12,18-20,22,31H,10-11,13-16H2,1H3,(H,26,29)/t19-,20-,22-/m0/s1.
What are the key properties of (2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide?
(2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide is sourced from PubChem (CID 87348918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).