3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide

C21H23N3O2 — CID 71869671

IUPAC3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)c1
InChIInChI=1S/C21H23N3O2/c22-15-17-2-1-3-18(14-17)21(26)23-19-6-4-16(5-7-19)8-11-24-12-9-20(25)10-13-24/h1-7,14,20,25H,8-13H2,(H,23,26)
InChIKeyUVDOSXNFKWVAMQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.81
Rot. Bonds5

About 3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide

3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide (PubChem CID 71869671) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide
PubChem CID71869671
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)c1
InChIInChI=1S/C21H23N3O2/c22-15-17-2-1-3-18(14-17)21(26)23-19-6-4-16(5-7-19)8-11-24-12-9-20(25)10-13-24/h1-7,14,20,25H,8-13H2,(H,23,26)
InChIKeyUVDOSXNFKWVAMQ-UHFFFAOYSA-N
XLogP2.81
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-5-methylpyrazine-2-carboxamide
CID 167929276
3-amino-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]benzamide;dihydrochloride
CID 119869864
N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-2-methoxyacetamide
CID 71989273
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
N-[4-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-cyanobenzamide
CID 42868978
5-[(3-cyanobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 10448085
3-[2-(3H-benzimidazol-1-ium-1-yl)ethynyl]-N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]benzamide
CID 123663149
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide
CID 69182070
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
CID 38380319

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide?
The IUPAC name of 3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide (CID 71869671) is 3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide is N#Cc1cccc(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)c1.
What is the InChIKey of 3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide?
The InChIKey is UVDOSXNFKWVAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c22-15-17-2-1-3-18(14-17)21(26)23-19-6-4-16(5-7-19)8-11-24-12-9-20(25)10-13-24/h1-7,14,20,25H,8-13H2,(H,23,26).
What are the key properties of 3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide?
3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide is sourced from PubChem (CID 71869671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).