N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide

C20H26N4O2 — CID 136512747

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C20H26N4O2/c1-4-26-18-8-6-5-7-17(18)20(25)23-16-9-11-24(12-10-16)19-13-14(2)21-15(3)22-19/h5-8,13,16H,4,9-12H2,1-3H3,(H,23,25)
InChIKeyAYHLLKUIBULVDL-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.89
Rot. Bonds5

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide (PubChem CID 136512747) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide
PubChem CID136512747
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C20H26N4O2/c1-4-26-18-8-6-5-7-17(18)20(25)23-16-9-11-24(12-10-16)19-13-14(2)21-15(3)22-19/h5-8,13,16H,4,9-12H2,1-3H3,(H,23,25)
InChIKeyAYHLLKUIBULVDL-UHFFFAOYSA-N
XLogP2.89
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide 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

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-ethoxybenzamide
CID 136512750
2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528472
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-pyridin-2-ylpropanamide
CID 71977381
2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide
CID 3220910
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119897662
cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156
2-ethoxy-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99742178
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide (CID 136512747) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide?
The InChIKey is AYHLLKUIBULVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-26-18-8-6-5-7-17(18)20(25)23-16-9-11-24(12-10-16)19-13-14(2)21-15(3)22-19/h5-8,13,16H,4,9-12H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide is sourced from PubChem (CID 136512747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).