2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide

C23H28N2O3 — CID 18119539

IUPAC2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-17-6-12-21(13-7-17)28-18(2)22(26)24-16-19-8-10-20(11-9-19)23(27)25-14-4-3-5-15-25/h6-13,18H,3-5,14-16H2,1-2H3,(H,24,26)
InChIKeyIJAISGOJPOFJSB-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.70
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide

2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide (PubChem CID 18119539) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
PubChem CID18119539
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-17-6-12-21(13-7-17)28-18(2)22(26)24-16-19-8-10-20(11-9-19)23(27)25-14-4-3-5-15-25/h6-13,18H,3-5,14-16H2,1-2H3,(H,24,26)
InChIKeyIJAISGOJPOFJSB-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 43043470
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-bromophenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55709018
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
2-(4-methoxyphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767803
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
N-[4-(piperidine-1-carbonyl)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845235
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286
2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 54783367
2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55780106
2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767450

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide (CID 18119539) is 2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide is Cc1ccc(OC(C)C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide?
The InChIKey is IJAISGOJPOFJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-6-12-21(13-7-17)28-18(2)22(26)24-16-19-8-10-20(11-9-19)23(27)25-14-4-3-5-15-25/h6-13,18H,3-5,14-16H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide?
2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide has a molecular weight of 380.49 g/mol, XLogP of 3.70, 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-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 18119539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).