N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide

C21H26N2O2 — CID 111520307

IUPACN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1
InChIInChI=1S/C21H26N2O2/c1-16-5-4-8-17(13-16)21(25)22-14-18-6-2-3-7-19(18)15-23-11-9-20(24)10-12-23/h2-8,13,20,24H,9-12,14-15H2,1H3,(H,22,25)
InChIKeyQVLCBOGVBOLRKD-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.88
Rot. Bonds5

About N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide (PubChem CID 111520307) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
PubChem CID111520307
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1
InChIInChI=1S/C21H26N2O2/c1-16-5-4-8-17(13-16)21(25)22-14-18-6-2-3-7-19(18)15-23-11-9-20(24)10-12-23/h2-8,13,20,24H,9-12,14-15H2,1H3,(H,22,25)
InChIKeyQVLCBOGVBOLRKD-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 111520313
N-[2-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 154839761
3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 9142669
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 111520282
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
2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119947378
3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46466905
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111540046
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-iodobenzamide
CID 55664630
2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide (CID 111520307) is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1.
What is the InChIKey of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide?
The InChIKey is QVLCBOGVBOLRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-5-4-8-17(13-16)21(25)22-14-18-6-2-3-7-19(18)15-23-11-9-20(24)10-12-23/h2-8,13,20,24H,9-12,14-15H2,1H3,(H,22,25).
What are the key properties of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide?
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide is sourced from PubChem (CID 111520307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).