3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

C23H30N2O2 — CID 108739321

IUPAC3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESCCc1ccc(OCCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C23H30N2O2/c1-2-19-8-12-22(13-9-19)27-17-14-23(26)24-21-10-6-20(7-11-21)18-25-15-4-3-5-16-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)
InChIKeyHTMQOKKGSDGNDD-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.64
Rot. Bonds8

About 3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide (PubChem CID 108739321) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
PubChem CID108739321
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESCCc1ccc(OCCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C23H30N2O2/c1-2-19-8-12-22(13-9-19)27-17-14-23(26)24-21-10-6-20(7-11-21)18-25-15-4-3-5-16-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)
InChIKeyHTMQOKKGSDGNDD-UHFFFAOYSA-N
XLogP4.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide
CID 10139137
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795729
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108762064
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate
CID 108807279
4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108762073
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
[4-[3-(4-ethylphenoxy)propanoylamino]phenyl] thiocyanate
CID 108795847

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide (CID 108739321) is 3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide is CCc1ccc(OCCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of 3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is HTMQOKKGSDGNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-19-8-12-22(13-9-19)27-17-14-23(26)24-21-10-6-20(7-11-21)18-25-15-4-3-5-16-25/h6-13H,2-5,14-18H2,1H3,(H,24,26).
What are the key properties of 3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 366.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 108739321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).