N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide

C24H32N2O4 — CID 56552055

IUPACN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)ccc1OC(C)C
InChIInChI=1S/C24H32N2O4/c1-17(2)30-22-9-8-20(14-23(22)29-3)24(28)25-15-18-4-6-19(7-5-18)16-26-12-10-21(27)11-13-26/h4-9,14,17,21,27H,10-13,15-16H2,1-3H3,(H,25,28)
InChIKeyYPPKQAGXDVIKSP-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.37
Rot. Bonds8

About N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide (PubChem CID 56552055) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
PubChem CID56552055
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)ccc1OC(C)C
InChIInChI=1S/C24H32N2O4/c1-17(2)30-22-9-8-20(14-23(22)29-3)24(28)25-15-18-4-6-19(7-5-18)16-26-12-10-21(27)11-13-26/h4-9,14,17,21,27H,10-13,15-16H2,1-3H3,(H,25,28)
InChIKeyYPPKQAGXDVIKSP-UHFFFAOYSA-N
XLogP3.37
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide
CID 56552080
5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide
CID 56552188
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 56551947
3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55774774
3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 55381469
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 56555119
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122
N-[(3,4-dimethoxyphenyl)methyl]-4-[[[1-[(4-methylphenyl)methyl]piperidin-4-yl]-(2-methylpropanoyl)amino]methyl]benzamide
CID 69243088
N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide
CID 23108978
4-[[[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropanoyl]amino]methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 69240801
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 119620952

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide (CID 56552055) is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)ccc1OC(C)C.
What is the InChIKey of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is YPPKQAGXDVIKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-17(2)30-22-9-8-20(14-23(22)29-3)24(28)25-15-18-4-6-19(7-5-18)16-26-12-10-21(27)11-13-26/h4-9,14,17,21,27H,10-13,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide?
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 412.53 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 56552055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).