N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide

C21H25ClN2O4 — CID 2569806

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C21H25ClN2O4/c1-26-18-11-14(12-19(27-2)20(18)28-3)21(25)23-16-13-15(22)7-8-17(16)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyYXJKWKFZDXYLJX-UHFFFAOYSA-N
MW404.89 g/mol
LogP4.61
Rot. Bonds6

About N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide

N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 2569806) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID2569806
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C21H25ClN2O4/c1-26-18-11-14(12-19(27-2)20(18)28-3)21(25)23-16-13-15(22)7-8-17(16)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyYXJKWKFZDXYLJX-UHFFFAOYSA-N
XLogP4.61
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4850008
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55754662
3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520153
N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 110362244
N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 17027234
N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
CID 835945
N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349259
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide
CID 24614219
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 26292366
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide
CID 2980127

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide (CID 2569806) is N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc(OC)c1OC.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is YXJKWKFZDXYLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-26-18-11-14(12-19(27-2)20(18)28-3)21(25)23-16-13-15(22)7-8-17(16)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,25).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 404.89 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2569806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).