N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide

C20H20Cl2N2O3 — CID 108559737

IUPACN-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C20H20Cl2N2O3/c1-27-16-4-2-3-13(11-16)19(25)23-15-7-9-24(10-8-15)20(26)17-6-5-14(21)12-18(17)22/h2-6,11-12,15H,7-10H2,1H3,(H,23,25)
InChIKeyAAZPOPUMWQXEEM-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.04
Rot. Bonds4

About N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide

N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide (PubChem CID 108559737) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide
PubChem CID108559737
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC NameN-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C20H20Cl2N2O3/c1-27-16-4-2-3-13(11-16)19(25)23-15-7-9-24(10-8-15)20(26)17-6-5-14(21)12-18(17)22/h2-6,11-12,15H,7-10H2,1H3,(H,23,25)
InChIKeyAAZPOPUMWQXEEM-UHFFFAOYSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550355
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
N-cyclopropyl-3-methoxybenzamide
CID 900156
2,4-dichloro-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108567215
3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108553848
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925
[3-[[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548568

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide (CID 108559737) is N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1.
What is the InChIKey of N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is AAZPOPUMWQXEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-27-16-4-2-3-13(11-16)19(25)23-15-7-9-24(10-8-15)20(26)17-6-5-14(21)12-18(17)22/h2-6,11-12,15H,7-10H2,1H3,(H,23,25).
What are the key properties of N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide?
N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 407.30 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 108559737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).