4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide

C20H21N3O2 — CID 122560531

IUPAC4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide
SMILESN#Cc1ccc(O)c(-c2ccc(C(=O)NCC3CCNCC3)cc2)c1
InChIInChI=1S/C20H21N3O2/c21-12-15-1-6-19(24)18(11-15)16-2-4-17(5-3-16)20(25)23-13-14-7-9-22-10-8-14/h1-6,11,14,22,24H,7-10,13H2,(H,23,25)
InChIKeyHOHYYCYUFSCINY-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.66
Rot. Bonds4

About 4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide

4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 122560531) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide
PubChem CID122560531
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide
SMILESN#Cc1ccc(O)c(-c2ccc(C(=O)NCC3CCNCC3)cc2)c1
InChIInChI=1S/C20H21N3O2/c21-12-15-1-6-19(24)18(11-15)16-2-4-17(5-3-16)20(25)23-13-14-7-9-22-10-8-14/h1-6,11,14,22,24H,7-10,13H2,(H,23,25)
InChIKeyHOHYYCYUFSCINY-UHFFFAOYSA-N
XLogP2.66
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107671970
2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46890786
4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide
CID 68745687
6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 164889337
3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 114103391
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068
4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide
CID 68551759
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide
CID 154453798

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide (CID 122560531) is 4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide is N#Cc1ccc(O)c(-c2ccc(C(=O)NCC3CCNCC3)cc2)c1.
What is the InChIKey of 4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is HOHYYCYUFSCINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c21-12-15-1-6-19(24)18(11-15)16-2-4-17(5-3-16)20(25)23-13-14-7-9-22-10-8-14/h1-6,11,14,22,24H,7-10,13H2,(H,23,25).
What are the key properties of 4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide?
4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 122560531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).