3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide

C20H24N2O3 — CID 110016310

IUPAC3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide
SMILESCc1cc(O)cc(C(=O)Nc2ccccc2N2CCC(CO)CC2)c1
InChIInChI=1S/C20H24N2O3/c1-14-10-16(12-17(24)11-14)20(25)21-18-4-2-3-5-19(18)22-8-6-15(13-23)7-9-22/h2-5,10-12,15,23-24H,6-9,13H2,1H3,(H,21,25)
InChIKeyINDYKOAONIJWBO-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.16
Rot. Bonds4

About 3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide

3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide (PubChem CID 110016310) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide
PubChem CID110016310
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide
SMILESCc1cc(O)cc(C(=O)Nc2ccccc2N2CCC(CO)CC2)c1
InChIInChI=1S/C20H24N2O3/c1-14-10-16(12-17(24)11-14)20(25)21-18-4-2-3-5-19(18)22-8-6-15(13-23)7-9-22/h2-5,10-12,15,23-24H,6-9,13H2,1H3,(H,21,25)
InChIKeyINDYKOAONIJWBO-UHFFFAOYSA-N
XLogP3.16
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide
CID 166414486
N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide
CID 75435744
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
CID 68551320
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458
[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 110011361
3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide
CID 143567083
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 3019649
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,5-dimethylbenzamide
CID 55664010

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide (CID 110016310) is 3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide is Cc1cc(O)cc(C(=O)Nc2ccccc2N2CCC(CO)CC2)c1.
What is the InChIKey of 3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide?
The InChIKey is INDYKOAONIJWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-10-16(12-17(24)11-14)20(25)21-18-4-2-3-5-19(18)22-8-6-15(13-23)7-9-22/h2-5,10-12,15,23-24H,6-9,13H2,1H3,(H,21,25).
What are the key properties of 3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide?
3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide is sourced from PubChem (CID 110016310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).