4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide

C17H23N3O2 — CID 154739599

IUPAC4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide
SMILESCOCCN1CCC(NC(=O)c2ccc(C#N)cc2C)CC1
InChIInChI=1S/C17H23N3O2/c1-13-11-14(12-18)3-4-16(13)17(21)19-15-5-7-20(8-6-15)9-10-22-2/h3-4,11,15H,5-10H2,1-2H3,(H,19,21)
InChIKeyOGNVPJIQMABIMJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.71
Rot. Bonds5

About 4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide

4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide (PubChem CID 154739599) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide
PubChem CID154739599
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide
SMILESCOCCN1CCC(NC(=O)c2ccc(C#N)cc2C)CC1
InChIInChI=1S/C17H23N3O2/c1-13-11-14(12-18)3-4-16(13)17(21)19-15-5-7-20(8-6-15)9-10-22-2/h3-4,11,15H,5-10H2,1-2H3,(H,19,21)
InChIKeyOGNVPJIQMABIMJ-UHFFFAOYSA-N
XLogP1.71
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide 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-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide
CID 95616399
3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide
CID 91557518
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 86847145
4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 136516441
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-4-bromo-2-methylbenzamide
CID 63627498
[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66843618

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of 4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide (CID 154739599) is 4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for 4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for 4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide is COCCN1CCC(NC(=O)c2ccc(C#N)cc2C)CC1.
What is the InChIKey of 4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide?
The InChIKey is OGNVPJIQMABIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-11-14(12-18)3-4-16(13)17(21)19-15-5-7-20(8-6-15)9-10-22-2/h3-4,11,15H,5-10H2,1-2H3,(H,19,21).
What are the key properties of 4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide?
4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide has a molecular weight of 301.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 154739599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).