1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide

C17H24N2O3 — CID 43886059

IUPAC1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide
SMILESCCc1ccccc1OC(C)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H24N2O3/c1-3-13-6-4-5-7-15(13)22-12(2)17(21)19-10-8-14(9-11-19)16(18)20/h4-7,12,14H,3,8-11H2,1-2H3,(H2,18,20)
InChIKeyPCMWOUZOMVYIQJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.74
Rot. Bonds5

About 1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide

1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide (PubChem CID 43886059) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide
PubChem CID43886059
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide
SMILESCCc1ccccc1OC(C)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H24N2O3/c1-3-13-6-4-5-7-15(13)22-12(2)17(21)19-10-8-14(9-11-19)16(18)20/h4-7,12,14H,3,8-11H2,1-2H3,(H2,18,20)
InChIKeyPCMWOUZOMVYIQJ-UHFFFAOYSA-N
XLogP1.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
CID 39730033
1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide
CID 95289341
2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 54931415
(2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 93487258
2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide
CID 41176180
2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 107713064
2-(2-benzylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 166191419
(2S)-2-(2-ethylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 92646949
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-ethylphenoxy)propan-1-one
CID 93487021
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide
CID 56797155

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide (CID 43886059) is 1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide is CCc1ccccc1OC(C)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide?
The InChIKey is PCMWOUZOMVYIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-13-6-4-5-7-15(13)22-12(2)17(21)19-10-8-14(9-11-19)16(18)20/h4-7,12,14H,3,8-11H2,1-2H3,(H2,18,20).
What are the key properties of 1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide?
1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 43886059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).