N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

C18H26N2O3 — CID 108966767

IUPACN-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCOc1cccc(NC(=O)C(C)(C)C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C18H26N2O3/c1-13-7-6-10-20(12-13)17(22)18(2,3)16(21)19-14-8-5-9-15(11-14)23-4/h5,8-9,11,13H,6-7,10,12H2,1-4H3,(H,19,21)
InChIKeyXSJFUWGLUWDNJG-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.92
Rot. Bonds4

About N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108966767) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108966767
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCOc1cccc(NC(=O)C(C)(C)C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C18H26N2O3/c1-13-7-6-10-20(12-13)17(22)18(2,3)16(21)19-14-8-5-9-15(11-14)23-4/h5,8-9,11,13H,6-7,10,12H2,1-4H3,(H,19,21)
InChIKeyXSJFUWGLUWDNJG-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.92
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-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961269
N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966766
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966789
N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108964434
(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435243
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate
CID 47065724
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966816
(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95139124
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958859

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (CID 108966767) is N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is COc1cccc(NC(=O)C(C)(C)C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is XSJFUWGLUWDNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-7-6-10-20(12-13)17(22)18(2,3)16(21)19-14-8-5-9-15(11-14)23-4/h5,8-9,11,13H,6-7,10,12H2,1-4H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 318.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108966767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).