3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide

C21H27N3O2 — CID 144791883

IUPAC3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
SMILESCC(N)C(C(=O)NO)N1CCC(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3O2/c1-15(22)20(21(25)23-26)24-13-11-19(12-14-24)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15,19-20,26H,11-14,22H2,1H3,(H,23,25)
InChIKeyRSWAUERKDGAXKF-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.75
Rot. Bonds5

About 3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide

3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide (PubChem CID 144791883) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
PubChem CID144791883
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
SMILESCC(N)C(C(=O)NO)N1CCC(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3O2/c1-15(22)20(21(25)23-26)24-13-11-19(12-14-24)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15,19-20,26H,11-14,22H2,1H3,(H,23,25)
InChIKeyRSWAUERKDGAXKF-UHFFFAOYSA-N
XLogP2.75
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.75
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 3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide?
The IUPAC name of 3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide (CID 144791883) is 3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide.
What is the SMILES notation for 3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide?
The canonical SMILES for 3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide is CC(N)C(C(=O)NO)N1CCC(c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide?
The InChIKey is RSWAUERKDGAXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(22)20(21(25)23-26)24-13-11-19(12-14-24)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15,19-20,26H,11-14,22H2,1H3,(H,23,25).
What are the key properties of 3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide?
3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide has a molecular weight of 353.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide is sourced from PubChem (CID 144791883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).