N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide

C23H27N3O3 — CID 108550471

IUPACN-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc1C
InChIInChI=1S/C23H27N3O3/c1-16-8-9-19(14-17(16)2)23(29)26-12-10-20(11-13-26)25-21(27)15-24-22(28)18-6-4-3-5-7-18/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyKEVONBUXCFFHIT-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.45
Rot. Bonds5

About N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide

N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 108550471) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
PubChem CID108550471
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc1C
InChIInChI=1S/C23H27N3O3/c1-16-8-9-19(14-17(16)2)23(29)26-12-10-20(11-13-26)25-21(27)15-24-22(28)18-6-4-3-5-7-18/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyKEVONBUXCFFHIT-UHFFFAOYSA-N
XLogP2.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550400
N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550446
N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550402
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
N-[2-oxo-2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550474
N-[2-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559772
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
CID 86826256
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559770
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108549926
ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
CID 47906995

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide (CID 108550471) is N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide is Cc1ccc(C(=O)N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc1C.
What is the InChIKey of N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is KEVONBUXCFFHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-8-9-19(14-17(16)2)23(29)26-12-10-20(11-13-26)25-21(27)15-24-22(28)18-6-4-3-5-7-18/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108550471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).