4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide

C22H27N3O3 — CID 108553773

IUPAC4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
SMILESCc1ccccc1OCCCC(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C22H27N3O3/c1-17-5-2-3-6-20(17)28-16-4-7-21(26)24-19-10-14-25(15-11-19)22(27)18-8-12-23-13-9-18/h2-3,5-6,8-9,12-13,19H,4,7,10-11,14-16H2,1H3,(H,24,26)
InChIKeyGIMODVWSJJPXKZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.97
Rot. Bonds7

About 4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide

4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide (PubChem CID 108553773) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
PubChem CID108553773
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
SMILESCc1ccccc1OCCCC(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C22H27N3O3/c1-17-5-2-3-6-20(17)28-16-4-7-21(26)24-19-10-14-25(15-11-19)22(27)18-8-12-23-13-9-18/h2-3,5-6,8-9,12-13,19H,4,7,10-11,14-16H2,1H3,(H,24,26)
InChIKeyGIMODVWSJJPXKZ-UHFFFAOYSA-N
XLogP2.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 49387753
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553786
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561260
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-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
CID 108553531
4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
CID 108553741
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
CID 86772130
4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553708

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide (CID 108553773) is 4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide is Cc1ccccc1OCCCC(=O)NC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
The InChIKey is GIMODVWSJJPXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-5-2-3-6-20(17)28-16-4-7-21(26)24-19-10-14-25(15-11-19)22(27)18-8-12-23-13-9-18/h2-3,5-6,8-9,12-13,19H,4,7,10-11,14-16H2,1H3,(H,24,26).
What are the key properties of 4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide has a molecular weight of 381.48 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 108553773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).