2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide

C22H31N3O4 — CID 10157887

IUPAC2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide
SMILESCOc1ccc(C2(C#N)CCN(C(C)(C)C(=O)NO)CC2)cc1OC1CCCC1
InChIInChI=1S/C22H31N3O4/c1-21(2,20(26)24-27)25-12-10-22(15-23,11-13-25)16-8-9-18(28-3)19(14-16)29-17-6-4-5-7-17/h8-9,14,17,27H,4-7,10-13H2,1-3H3,(H,24,26)
InChIKeyLIYOPOWLJZJRAK-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.16
Rot. Bonds6

About 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide

2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide (PubChem CID 10157887) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide
PubChem CID10157887
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide
SMILESCOc1ccc(C2(C#N)CCN(C(C)(C)C(=O)NO)CC2)cc1OC1CCCC1
InChIInChI=1S/C22H31N3O4/c1-21(2,20(26)24-27)25-12-10-22(15-23,11-13-25)16-8-9-18(28-3)19(14-16)29-17-6-4-5-7-17/h8-9,14,17,27H,4-7,10-13H2,1-3H3,(H,24,26)
InChIKeyLIYOPOWLJZJRAK-UHFFFAOYSA-N
XLogP3.16
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.16
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide?
The IUPAC name of 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide (CID 10157887) is 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide.
What is the SMILES notation for 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide?
The canonical SMILES for 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide is COc1ccc(C2(C#N)CCN(C(C)(C)C(=O)NO)CC2)cc1OC1CCCC1.
What is the InChIKey of 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide?
The InChIKey is LIYOPOWLJZJRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-21(2,20(26)24-27)25-12-10-22(15-23,11-13-25)16-8-9-18(28-3)19(14-16)29-17-6-4-5-7-17/h8-9,14,17,27H,4-7,10-13H2,1-3H3,(H,24,26).
What are the key properties of 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide?
2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide has a molecular weight of 401.51 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide is sourced from PubChem (CID 10157887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).