4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide

C22H35N3O4 — CID 87749230

IUPAC4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide
SMILESCC(C)(C)Oc1ccc(C[C@@H](N)C(=O)N2CCC(CCCC(=O)NO)CC2)cc1
InChIInChI=1S/C22H35N3O4/c1-22(2,3)29-18-9-7-17(8-10-18)15-19(23)21(27)25-13-11-16(12-14-25)5-4-6-20(26)24-28/h7-10,16,19,28H,4-6,11-15,23H2,1-3H3,(H,24,26)/t19-/m1/s1
InChIKeyQDFXGRKGYHLGBK-LJQANCHMSA-N
MW405.54 g/mol
LogP2.65
Rot. Bonds8

About 4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide

4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide (PubChem CID 87749230) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide
PubChem CID87749230
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC Name4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide
SMILESCC(C)(C)Oc1ccc(C[C@@H](N)C(=O)N2CCC(CCCC(=O)NO)CC2)cc1
InChIInChI=1S/C22H35N3O4/c1-22(2,3)29-18-9-7-17(8-10-18)15-19(23)21(27)25-13-11-16(12-14-25)5-4-6-20(26)24-28/h7-10,16,19,28H,4-6,11-15,23H2,1-3H3,(H,24,26)/t19-/m1/s1
InChIKeyQDFXGRKGYHLGBK-LJQANCHMSA-N
XLogP2.65
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 52.65
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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Related Compounds

4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87748465
2-[1-[(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]oxyacetic acid
CID 67715334
2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 76937313
(2S)-2-amino-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-[4-(methylamino)phenyl]propan-1-one
CID 70065911
(2S)-2-amino-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 70065985
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
(2S)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 61148613
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749504
4-[1-[(3R)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749494
(2S,4R)-1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 175783087

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide (CID 87749230) is 4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide is CC(C)(C)Oc1ccc(C[C@@H](N)C(=O)N2CCC(CCCC(=O)NO)CC2)cc1.
What is the InChIKey of 4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide?
The InChIKey is QDFXGRKGYHLGBK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H35N3O4/c1-22(2,3)29-18-9-7-17(8-10-18)15-19(23)21(27)25-13-11-16(12-14-25)5-4-6-20(26)24-28/h7-10,16,19,28H,4-6,11-15,23H2,1-3H3,(H,24,26)/t19-/m1/s1.
What are the key properties of 4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide?
4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide has a molecular weight of 405.54 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperidin-4-yl]-N-hydroxybutanamide is sourced from PubChem (CID 87749230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).