N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide

C29H34N2O5 — CID 46054860

IUPACN-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide
SMILESCOc1cc(CN2CCC(N(C(=O)c3cccc(C)c3)c3ccc(OC)c(OC)c3)CC2)ccc1O
InChIInChI=1S/C29H34N2O5/c1-20-6-5-7-22(16-20)29(33)31(24-9-11-26(34-2)28(18-24)36-4)23-12-14-30(15-13-23)19-21-8-10-25(32)27(17-21)35-3/h5-11,16-18,23,32H,12-15,19H2,1-4H3
InChIKeyQZCVIPGTZOLACT-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.04
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide

N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide (PubChem CID 46054860) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide
PubChem CID46054860
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide
SMILESCOc1cc(CN2CCC(N(C(=O)c3cccc(C)c3)c3ccc(OC)c(OC)c3)CC2)ccc1O
InChIInChI=1S/C29H34N2O5/c1-20-6-5-7-22(16-20)29(33)31(24-9-11-26(34-2)28(18-24)36-4)23-12-14-30(15-13-23)19-21-8-10-25(32)27(17-21)35-3/h5-11,16-18,23,32H,12-15,19H2,1-4H3
InChIKeyQZCVIPGTZOLACT-UHFFFAOYSA-N
XLogP5.04
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 42853326
3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055084
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46048230
N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)butanamide
CID 46054921
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 42858157
N-(3,4-dimethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853305
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 46055099
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46054558
N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 42853332
N-(3,4-dimethoxyphenyl)-N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]acetamide
CID 46054543
N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853300
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 46054990

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide (CID 46054860) is N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide is COc1cc(CN2CCC(N(C(=O)c3cccc(C)c3)c3ccc(OC)c(OC)c3)CC2)ccc1O.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide?
The InChIKey is QZCVIPGTZOLACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-20-6-5-7-22(16-20)29(33)31(24-9-11-26(34-2)28(18-24)36-4)23-12-14-30(15-13-23)19-21-8-10-25(32)27(17-21)35-3/h5-11,16-18,23,32H,12-15,19H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide?
N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide has a molecular weight of 490.60 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 46054860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).