2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide

C21H23Cl2N3O2 — CID 108554641

IUPAC2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide
SMILESCN(C)c1ccc(C(=O)N2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C21H23Cl2N3O2/c1-25(2)17-6-3-14(4-7-17)21(28)26-11-9-16(10-12-26)24-20(27)18-13-15(22)5-8-19(18)23/h3-8,13,16H,9-12H2,1-2H3,(H,24,27)
InChIKeyRDDOGGDNXSYMIK-UHFFFAOYSA-N
MW420.34 g/mol
LogP4.09
Rot. Bonds4

About 2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide

2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide (PubChem CID 108554641) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide
PubChem CID108554641
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC Name2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide
SMILESCN(C)c1ccc(C(=O)N2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C21H23Cl2N3O2/c1-25(2)17-6-3-14(4-7-17)21(28)26-11-9-16(10-12-26)24-20(27)18-13-15(22)5-8-19(18)23/h3-8,13,16H,9-12H2,1-2H3,(H,24,27)
InChIKeyRDDOGGDNXSYMIK-UHFFFAOYSA-N
XLogP4.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
CID 108567076
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]furan-2-carboxamide
CID 110821547
4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108557963
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide (CID 108554641) is 2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide is CN(C)c1ccc(C(=O)N2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide?
The InChIKey is RDDOGGDNXSYMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-25(2)17-6-3-14(4-7-17)21(28)26-11-9-16(10-12-26)24-20(27)18-13-15(22)5-8-19(18)23/h3-8,13,16H,9-12H2,1-2H3,(H,24,27).
What are the key properties of 2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide?
2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide has a molecular weight of 420.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108554641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).