N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide

C24H30N2O5 — CID 2973116

IUPACN-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)N3C(C)CCCC3C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H30N2O5/c1-15-7-6-8-16(2)26(15)24(28)17-9-11-19(12-10-17)25-23(27)18-13-20(29-3)22(31-5)21(14-18)30-4/h9-16H,6-8H2,1-5H3,(H,25,27)
InChIKeyKPBWXBSOBVVWTG-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.37
Rot. Bonds6

About N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide

N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 2973116) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID2973116
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)N3C(C)CCCC3C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H30N2O5/c1-15-7-6-8-16(2)26(15)24(28)17-9-11-19(12-10-17)25-23(27)18-13-20(29-3)22(31-5)21(14-18)30-4/h9-16H,6-8H2,1-5H3,(H,25,27)
InChIKeyKPBWXBSOBVVWTG-UHFFFAOYSA-N
XLogP4.37
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17179785
3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311736
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide
CID 14638301
N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 91676904
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
(3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110292317
3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide
CID 11100457
3,4,5-trimethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687225

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide (CID 2973116) is N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(C(=O)N3C(C)CCCC3C)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is KPBWXBSOBVVWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-15-7-6-8-16(2)26(15)24(28)17-9-11-19(12-10-17)25-23(27)18-13-20(29-3)22(31-5)21(14-18)30-4/h9-16H,6-8H2,1-5H3,(H,25,27).
What are the key properties of N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide?
N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 426.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2973116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).