N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide

C21H26N2O2 — CID 111540046

IUPACN-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-2-16-5-3-4-6-18(16)15-22-21(25)17-7-9-19(10-8-17)23-13-11-20(24)12-14-23/h3-10,20,24H,2,11-15H2,1H3,(H,22,25)
InChIKeyTVRRBTLEVRTMHX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.14
Rot. Bonds5

About N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide

N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide (PubChem CID 111540046) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
PubChem CID111540046
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-2-16-5-3-4-6-18(16)15-22-21(25)17-7-9-19(10-8-17)23-13-11-20(24)12-14-23/h3-10,20,24H,2,11-15H2,1H3,(H,22,25)
InChIKeyTVRRBTLEVRTMHX-UHFFFAOYSA-N
XLogP3.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
CID 111520307
N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 91813629
2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 91660317
4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 111464649
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 110000274
N-cyclopropyl-N-ethyl-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111520410
4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide
CID 111331639
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 111520282
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
3-fluoro-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 111520313

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The IUPAC name of N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide (CID 111540046) is N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide is CCc1ccccc1CNC(=O)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The InChIKey is TVRRBTLEVRTMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-16-5-3-4-6-18(16)15-22-21(25)17-7-9-19(10-8-17)23-13-11-20(24)12-14-23/h3-10,20,24H,2,11-15H2,1H3,(H,22,25).
What are the key properties of N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide is sourced from PubChem (CID 111540046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).