3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide

C18H26N2O3 — CID 108942808

IUPAC3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC1CCN(C(=O)CC(=O)Nc2ccccc2OC(C)C)CC1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-16-7-5-4-6-15(16)19-17(21)12-18(22)20-10-8-14(3)9-11-20/h4-7,13-14H,8-12H2,1-3H3,(H,19,21)
InChIKeyUAIBABAWEVIQMD-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.06
Rot. Bonds5

About 3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide

3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 108942808) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID108942808
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC1CCN(C(=O)CC(=O)Nc2ccccc2OC(C)C)CC1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-16-7-5-4-6-15(16)19-17(21)12-18(22)20-10-8-14(3)9-11-20/h4-7,13-14H,8-12H2,1-3H3,(H,19,21)
InChIKeyUAIBABAWEVIQMD-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108950830
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007639
3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
CID 108952152
(4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109323210
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109183358
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007640

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide (CID 108942808) is 3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide is CC1CCN(C(=O)CC(=O)Nc2ccccc2OC(C)C)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is UAIBABAWEVIQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)23-16-7-5-4-6-15(16)19-17(21)12-18(22)20-10-8-14(3)9-11-20/h4-7,13-14H,8-12H2,1-3H3,(H,19,21).
What are the key properties of 3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide?
3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 108942808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).