N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide

C23H28N2O4 — CID 108553786

IUPACN-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)NC1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C23H28N2O4/c1-17-6-2-3-9-21(17)29-15-5-10-22(27)24-19-11-13-25(14-12-19)23(28)18-7-4-8-20(26)16-18/h2-4,6-9,16,19,26H,5,10-15H2,1H3,(H,24,27)
InChIKeyXIVLOTOACDPLJN-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.28
Rot. Bonds7

About N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide

N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide (PubChem CID 108553786) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
PubChem CID108553786
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)NC1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C23H28N2O4/c1-17-6-2-3-9-21(17)29-15-5-10-22(27)24-19-11-13-25(14-12-19)23(28)18-7-4-8-20(26)16-18/h2-4,6-9,16,19,26H,5,10-15H2,1H3,(H,24,27)
InChIKeyXIVLOTOACDPLJN-UHFFFAOYSA-N
XLogP3.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553708
4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108553773
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
CID 108553531
N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561260
[3-[4-[4-(2,6-dimethylphenoxy)butanoylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108927434
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553731
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557789
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553625
4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 49387753

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide (CID 108553786) is N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide is Cc1ccccc1OCCCC(=O)NC1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide?
The InChIKey is XIVLOTOACDPLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17-6-2-3-9-21(17)29-15-5-10-22(27)24-19-11-13-25(14-12-19)23(28)18-7-4-8-20(26)16-18/h2-4,6-9,16,19,26H,5,10-15H2,1H3,(H,24,27).
What are the key properties of N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide?
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide has a molecular weight of 396.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 108553786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).