2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide

C23H28N2O3 — CID 43878334

IUPAC2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C23H28N2O3/c1-3-21(28-20-12-10-17(2)11-13-20)22(26)24-19-9-7-8-18(16-19)23(27)25-14-5-4-6-15-25/h7-13,16,21H,3-6,14-15H2,1-2H3,(H,24,26)
InChIKeyRCRFPCIHXUMDEX-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.42
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide

2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide (PubChem CID 43878334) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide
PubChem CID43878334
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C23H28N2O3/c1-3-21(28-20-12-10-17(2)11-13-20)22(26)24-19-9-7-8-18(16-19)23(27)25-14-5-4-6-15-25/h7-13,16,21H,3-6,14-15H2,1-2H3,(H,24,26)
InChIKeyRCRFPCIHXUMDEX-UHFFFAOYSA-N
XLogP4.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]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

(2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide
CID 42579577
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate
CID 132652172
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide
CID 43877329
3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878204
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 55597478
2-(3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 4928588
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 92947905
3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide
CID 53284317
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 17179669

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide (CID 43878334) is 2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide?
The InChIKey is RCRFPCIHXUMDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-21(28-20-12-10-17(2)11-13-20)22(26)24-19-9-7-8-18(16-19)23(27)25-14-5-4-6-15-25/h7-13,16,21H,3-6,14-15H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide?
2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide has a molecular weight of 380.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 43878334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).