4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide

C21H35N3O2 — CID 141152835

IUPAC4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide
SMILESCN(C)[C@@H](CCc1ccccc1)CN1CCC(CCCC(=O)NO)CC1
InChIInChI=1S/C21H35N3O2/c1-23(2)20(12-11-18-7-4-3-5-8-18)17-24-15-13-19(14-16-24)9-6-10-21(25)22-26/h3-5,7-8,19-20,26H,6,9-17H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyMLXAOYPYZDZENQ-FQEVSTJZSA-N
MW361.53 g/mol
LogP2.94
Rot. Bonds10

About 4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide

4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide (PubChem CID 141152835) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide
PubChem CID141152835
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide
SMILESCN(C)[C@@H](CCc1ccccc1)CN1CCC(CCCC(=O)NO)CC1
InChIInChI=1S/C21H35N3O2/c1-23(2)20(12-11-18-7-4-3-5-8-18)17-24-15-13-19(14-16-24)9-6-10-21(25)22-26/h3-5,7-8,19-20,26H,6,9-17H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyMLXAOYPYZDZENQ-FQEVSTJZSA-N
XLogP2.94
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.94
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 4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide (CID 141152835) is 4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide is CN(C)[C@@H](CCc1ccccc1)CN1CCC(CCCC(=O)NO)CC1.
What is the InChIKey of 4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide?
The InChIKey is MLXAOYPYZDZENQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-23(2)20(12-11-18-7-4-3-5-8-18)17-24-15-13-19(14-16-24)9-6-10-21(25)22-26/h3-5,7-8,19-20,26H,6,9-17H2,1-2H3,(H,22,25)/t20-/m0/s1.
What are the key properties of 4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide?
4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide has a molecular weight of 361.53 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide is sourced from PubChem (CID 141152835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).