2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide

C23H31N3O2 — CID 20889255

IUPAC2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
SMILESCCC1CCCCN1CCCNC(=O)Cn1cccc1C(=O)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-2-20-12-6-7-15-25(20)17-9-14-24-22(27)18-26-16-8-13-21(26)23(28)19-10-4-3-5-11-19/h3-5,8,10-11,13,16,20H,2,6-7,9,12,14-15,17-18H2,1H3,(H,24,27)
InChIKeyOVHIZGQFYHSZSQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.49
Rot. Bonds9

About 2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide

2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide (PubChem CID 20889255) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
PubChem CID20889255
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
SMILESCCC1CCCCN1CCCNC(=O)Cn1cccc1C(=O)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-2-20-12-6-7-15-25(20)17-9-14-24-22(27)18-26-16-8-13-21(26)23(28)19-10-4-3-5-11-19/h3-5,8,10-11,13,16,20H,2,6-7,9,12,14-15,17-18H2,1H3,(H,24,27)
InChIKeyOVHIZGQFYHSZSQ-UHFFFAOYSA-N
XLogP3.49
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100516526
2-(2-benzoylpyrrol-1-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 6620200
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514484
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 100629368
N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide
CID 46388323
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 132672994
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43892823
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43895820

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide (CID 20889255) is 2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide is CCC1CCCCN1CCCNC(=O)Cn1cccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The InChIKey is OVHIZGQFYHSZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-2-20-12-6-7-15-25(20)17-9-14-24-22(27)18-26-16-8-13-21(26)23(28)19-10-4-3-5-11-19/h3-5,8,10-11,13,16,20H,2,6-7,9,12,14-15,17-18H2,1H3,(H,24,27).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 20889255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).