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

C18H25N3O3 — CID 108952246

IUPACN-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
SMILESCCC1CCCCN1C(=O)CC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C18H25N3O3/c1-3-16-9-4-5-10-21(16)18(24)12-17(23)20-15-8-6-7-14(11-15)19-13(2)22/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKFDYDMGGKOBPHG-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.76
Rot. Bonds5

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

N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108952246) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108952246
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
SMILESCCC1CCCCN1C(=O)CC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C18H25N3O3/c1-3-16-9-4-5-10-21(16)18(24)12-17(23)20-15-8-6-7-14(11-15)19-13(2)22/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKFDYDMGGKOBPHG-UHFFFAOYSA-N
XLogP2.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 7842559
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032765
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952277
N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107464
N-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109240563
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554689
N-(3-acetylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 19654734
N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide
CID 46572586
(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125155789
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942818

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide (CID 108952246) is N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide is CCC1CCCCN1C(=O)CC(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is KFDYDMGGKOBPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-16-9-4-5-10-21(16)18(24)12-17(23)20-15-8-6-7-14(11-15)19-13(2)22/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 331.42 g/mol, XLogP of 2.76, 5 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)-3-oxopropanamide is sourced from PubChem (CID 108952246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).