N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide

C25H34N2O4 — CID 55742851

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(CN3CC(C)CC(C)C3)cc2)cc(OC)c1OC
InChIInChI=1S/C25H34N2O4/c1-17-10-18(2)15-27(14-17)16-20-8-6-19(7-9-20)13-26-25(28)21-11-22(29-3)24(31-5)23(12-21)30-4/h6-9,11-12,17-18H,10,13-16H2,1-5H3,(H,26,28)
InChIKeyYKWATDOPZAJWRP-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.12
Rot. Bonds8

About N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide (PubChem CID 55742851) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
PubChem CID55742851
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(CN3CC(C)CC(C)C3)cc2)cc(OC)c1OC
InChIInChI=1S/C25H34N2O4/c1-17-10-18(2)15-27(14-17)16-20-8-6-19(7-9-20)13-26-25(28)21-11-22(29-3)24(31-5)23(12-21)30-4/h6-9,11-12,17-18H,10,13-16H2,1-5H3,(H,26,28)
InChIKeyYKWATDOPZAJWRP-UHFFFAOYSA-N
XLogP4.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 51953699
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
3-amino-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119848746
N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55723100
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51161949
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602273
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 60515751
4-amino-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitrobenzamide
CID 60515981
N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide
CID 46519975
3-bromo-4-ethoxy-5-methoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 55727960
2-cyclopentyloxy-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 60515116

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide (CID 55742851) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCc2ccc(CN3CC(C)CC(C)C3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is YKWATDOPZAJWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-17-10-18(2)15-27(14-17)16-20-8-6-19(7-9-20)13-26-25(28)21-11-22(29-3)24(31-5)23(12-21)30-4/h6-9,11-12,17-18H,10,13-16H2,1-5H3,(H,26,28).
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 426.56 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 55742851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).