N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide

C21H23ClN2O4 — CID 108548796

IUPACN-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC
InChIInChI=1S/C21H23ClN2O4/c1-27-18-7-6-14(13-19(18)28-2)20(25)23-17-8-10-24(11-9-17)21(26)15-4-3-5-16(22)12-15/h3-7,12-13,17H,8-11H2,1-2H3,(H,23,25)
InChIKeyVUOGMEXCKHQANJ-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.39
Rot. Bonds5

About N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide (PubChem CID 108548796) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
PubChem CID108548796
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC
InChIInChI=1S/C21H23ClN2O4/c1-27-18-7-6-14(13-19(18)28-2)20(25)23-17-8-10-24(11-9-17)21(26)15-4-3-5-16(22)12-15/h3-7,12-13,17H,8-11H2,1-2H3,(H,23,25)
InChIKeyVUOGMEXCKHQANJ-UHFFFAOYSA-N
XLogP3.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800906
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146
5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108552263
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 155957395
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108550695
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119945642
3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108558250
N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821025
[4-(3-chloro-2-methylanilino)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 3930106

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide (CID 108548796) is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC.
What is the InChIKey of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide?
The InChIKey is VUOGMEXCKHQANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-27-18-7-6-14(13-19(18)28-2)20(25)23-17-8-10-24(11-9-17)21(26)15-4-3-5-16(22)12-15/h3-7,12-13,17H,8-11H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide?
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide has a molecular weight of 402.88 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 108548796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).