(2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide

C22H30FN3O3 — CID 87348601

IUPAC(2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide
SMILESCC(C)c1cccc(C2=CCN(C(=O)[C@@H]3[C@@H](C(=O)NO)C[C@@H](F)CN3C)CC2)c1
InChIInChI=1S/C22H30FN3O3/c1-14(2)16-5-4-6-17(11-16)15-7-9-26(10-8-15)22(28)20-19(21(27)24-29)12-18(23)13-25(20)3/h4-7,11,14,18-20,29H,8-10,12-13H2,1-3H3,(H,24,27)/t18-,19+,20+/m1/s1
InChIKeyDDLLVZPKWIIWFV-AABGKKOBSA-N
MW403.50 g/mol
LogP2.59
Rot. Bonds4

About (2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide

(2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide (PubChem CID 87348601) has the molecular formula C22H30FN3O3 and a molecular weight of 403.50 g/mol. Its IUPAC name is (2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide
PubChem CID87348601
Molecular FormulaC22H30FN3O3
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC Name(2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide
SMILESCC(C)c1cccc(C2=CCN(C(=O)[C@@H]3[C@@H](C(=O)NO)C[C@@H](F)CN3C)CC2)c1
InChIInChI=1S/C22H30FN3O3/c1-14(2)16-5-4-6-17(11-16)15-7-9-26(10-8-15)22(28)20-19(21(27)24-29)12-18(23)13-25(20)3/h4-7,11,14,18-20,29H,8-10,12-13H2,1-3H3,(H,24,27)/t18-,19+,20+/m1/s1
InChIKeyDDLLVZPKWIIWFV-AABGKKOBSA-N
XLogP2.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
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,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide (CID 87348601) is (2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide is CC(C)c1cccc(C2=CCN(C(=O)[C@@H]3[C@@H](C(=O)NO)C[C@@H](F)CN3C)CC2)c1.
What is the InChIKey of (2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide?
The InChIKey is DDLLVZPKWIIWFV-AABGKKOBSA-N. The full InChI is InChI=1S/C22H30FN3O3/c1-14(2)16-5-4-6-17(11-16)15-7-9-26(10-8-15)22(28)20-19(21(27)24-29)12-18(23)13-25(20)3/h4-7,11,14,18-20,29H,8-10,12-13H2,1-3H3,(H,24,27)/t18-,19+,20+/m1/s1.
What are the key properties of (2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide?
(2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-5-fluoro-N-hydroxy-1-methyl-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 87348601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).