2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

C18H22N4O3 — CID 110712543

IUPAC2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N4O3/c1-24-14-5-3-6-15(25-2)16(14)17(23)21-13-7-11-22(12-8-13)18-19-9-4-10-20-18/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,21,23)
InChIKeyWDHSQIKTIRQQER-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.89
Rot. Bonds5

About 2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (PubChem CID 110712543) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
PubChem CID110712543
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N4O3/c1-24-14-5-3-6-15(25-2)16(14)17(23)21-13-7-11-22(12-8-13)18-19-9-4-10-20-18/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,21,23)
InChIKeyWDHSQIKTIRQQER-UHFFFAOYSA-N
XLogP1.89
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide 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-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223156
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine
CID 91650180
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110741981
7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 46891271
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616
2-chloro-N-[1-(2-methoxyphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136579840
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55746439

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (CID 110712543) is 2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is COc1cccc(OC)c1C(=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is WDHSQIKTIRQQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-14-5-3-6-15(25-2)16(14)17(23)21-13-7-11-22(12-8-13)18-19-9-4-10-20-18/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 110712543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).