2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide

C23H28N2O5 — CID 7565850

IUPAC2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@@H]2C)c(OC)c1OC
InChIInChI=1S/C23H28N2O5/c1-15-9-7-8-14-25(15)23(27)16-10-5-6-11-18(16)24-22(26)17-12-13-19(28-2)21(30-4)20(17)29-3/h5-6,10-13,15H,7-9,14H2,1-4H3,(H,24,26)/t15-/m0/s1
InChIKeyZNLOZQFWYMUGDC-HNNXBMFYSA-N
MW412.49 g/mol
LogP3.98
Rot. Bonds6

About 2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide

2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide (PubChem CID 7565850) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide
PubChem CID7565850
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@@H]2C)c(OC)c1OC
InChIInChI=1S/C23H28N2O5/c1-15-9-7-8-14-25(15)23(27)16-10-5-6-11-18(16)24-22(26)17-12-13-19(28-2)21(30-4)20(17)29-3/h5-6,10-13,15H,7-9,14H2,1-4H3,(H,24,26)/t15-/m0/s1
InChIKeyZNLOZQFWYMUGDC-HNNXBMFYSA-N
XLogP3.98
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 849804
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523934
[(3aR,8aR)-1-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 110136269
N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide
CID 55548838
2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide
CID 55918321
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 131918610
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517
(4-bromo-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 78987496
(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 142809150
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 95279316

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide (CID 7565850) is 2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@@H]2C)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide?
The InChIKey is ZNLOZQFWYMUGDC-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-15-9-7-8-14-25(15)23(27)16-10-5-6-11-18(16)24-22(26)17-12-13-19(28-2)21(30-4)20(17)29-3/h5-6,10-13,15H,7-9,14H2,1-4H3,(H,24,26)/t15-/m0/s1.
What are the key properties of 2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide?
2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 7565850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).