N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide

C20H25N3O2 — CID 110743431

IUPACN-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(C)n1C1CCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-15-8-9-16(2)23(15)18-10-12-22(13-11-18)19(24)14-21-20(25)17-6-4-3-5-7-17/h3-9,18H,10-14H2,1-2H3,(H,21,25)
InChIKeyZXMFHFWYVUKGJN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.70
Rot. Bonds4

About N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 110743431) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID110743431
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(C)n1C1CCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-15-8-9-16(2)23(15)18-10-12-22(13-11-18)19(24)14-21-20(25)17-6-4-3-5-7-17/h3-9,18H,10-14H2,1-2H3,(H,21,25)
InChIKeyZXMFHFWYVUKGJN-UHFFFAOYSA-N
XLogP2.70
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110745924
ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223
N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 50823425
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 69029208
N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60574366
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 110743431) is N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide is Cc1ccc(C)n1C1CCN(C(=O)CNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is ZXMFHFWYVUKGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-8-9-16(2)23(15)18-10-12-22(13-11-18)19(24)14-21-20(25)17-6-4-3-5-7-17/h3-9,18H,10-14H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 110743431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).