N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide

C20H25N3O2 — CID 51221242

IUPACN-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1
InChIInChI=1S/C20H25N3O2/c1-14-4-5-15(2)23(14)19-8-6-17(7-9-19)20(25)21-18-10-12-22(13-11-18)16(3)24/h4-9,18H,10-13H2,1-3H3,(H,21,25)
InChIKeyZYIMQSVOWYVBEK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.83
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide

N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide (PubChem CID 51221242) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
PubChem CID51221242
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1
InChIInChI=1S/C20H25N3O2/c1-14-4-5-15(2)23(14)19-8-6-17(7-9-19)20(25)21-18-10-12-22(13-11-18)16(3)24/h4-9,18H,10-13H2,1-3H3,(H,21,25)
InChIKeyZYIMQSVOWYVBEK-UHFFFAOYSA-N
XLogP2.83
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide
CID 134008259
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
4-[(1-acetylpiperidin-4-yl)methyl]-N-cyclopropylbenzamide
CID 110198053
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 124508544
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266
N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide
CID 22583363
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
CID 103841550
N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide
CID 103706469
N-[1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 156611150

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide (CID 51221242) is N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide is CC(=O)N1CCC(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide?
The InChIKey is ZYIMQSVOWYVBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-4-5-15(2)23(14)19-8-6-17(7-9-19)20(25)21-18-10-12-22(13-11-18)16(3)24/h4-9,18H,10-13H2,1-3H3,(H,21,25).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide?
N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide is sourced from PubChem (CID 51221242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).