3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide

C21H32N2O3 — CID 108966667

IUPAC3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCCC1CCCCN1C(=O)C(C)(C)C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C21H32N2O3/c1-6-17-9-7-8-14-23(17)20(25)21(4,5)19(24)22-16-10-12-18(13-11-16)26-15(2)3/h10-13,15,17H,6-9,14H2,1-5H3,(H,22,24)
InChIKeyBIPWUFRRIGJQKI-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.23
Rot. Bonds6

About 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide

3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 108966667) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID108966667
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCCC1CCCCN1C(=O)C(C)(C)C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C21H32N2O3/c1-6-17-9-7-8-14-23(17)20(25)21(4,5)19(24)22-16-10-12-18(13-11-16)26-15(2)3/h10-13,15,17H,6-9,14H2,1-5H3,(H,22,24)
InChIKeyBIPWUFRRIGJQKI-UHFFFAOYSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide
CID 108966622
N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108966674
(2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109240554
6-(2-ethylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109161624
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108522277
3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid
CID 58738124
3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032650
1-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100686796
2-ethyl-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 108990892
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108500088
2-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-2-oxoacetamide
CID 47336169
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide (CID 108966667) is 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide is CCC1CCCCN1C(=O)C(C)(C)C(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is BIPWUFRRIGJQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-6-17-9-7-8-14-23(17)20(25)21(4,5)19(24)22-16-10-12-18(13-11-16)26-15(2)3/h10-13,15,17H,6-9,14H2,1-5H3,(H,22,24).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide?
3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 360.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 108966667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).