N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide

C18H27N3O2 — CID 109032765

IUPACN-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCCCN1CCC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C18H27N3O2/c1-3-17-9-4-5-11-21(17)12-10-18(23)20-16-8-6-7-15(13-16)19-14(2)22/h6-8,13,17H,3-5,9-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyYWCITXZLTMMYGP-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.24
Rot. Bonds6

About N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide

N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide (PubChem CID 109032765) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
PubChem CID109032765
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCCCN1CCC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C18H27N3O2/c1-3-17-9-4-5-11-21(17)12-10-18(23)20-16-8-6-7-15(13-16)19-14(2)22/h6-8,13,17H,3-5,9-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyYWCITXZLTMMYGP-UHFFFAOYSA-N
XLogP3.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-[(2R)-2-ethylpiperidin-1-yl]propanamide
CID 684899
N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
CID 83052120
N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 51302524
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952246
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide
CID 116637464
2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide
CID 47104594
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-acetamidophenyl)propanamide
CID 2666380
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide (CID 109032765) is N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide is CCC1CCCCN1CCC(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide?
The InChIKey is YWCITXZLTMMYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-17-9-4-5-11-21(17)12-10-18(23)20-16-8-6-7-15(13-16)19-14(2)22/h6-8,13,17H,3-5,9-12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide?
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide has a molecular weight of 317.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109032765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).