N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide

C19H23N3O3 — CID 108554843

IUPACN-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
SMILESCOCC(=O)N1CCC(NC(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C19H23N3O3/c1-25-14-18(23)22-12-8-16(9-13-22)20-19(24)15-4-6-17(7-5-15)21-10-2-3-11-21/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,20,24)
InChIKeyXCRUHKDLNZDGAO-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.84
Rot. Bonds5

About N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide

N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide (PubChem CID 108554843) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
PubChem CID108554843
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
SMILESCOCC(=O)N1CCC(NC(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C19H23N3O3/c1-25-14-18(23)22-12-8-16(9-13-22)20-19(24)15-4-6-17(7-5-15)21-10-2-3-11-21/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,20,24)
InChIKeyXCRUHKDLNZDGAO-UHFFFAOYSA-N
XLogP1.84
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561651
tert-butyl N-[3-oxo-3-[4-[(4-pyrrol-1-ylbenzoyl)amino]piperidin-1-yl]propyl]carbamate
CID 108554769
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554822
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549152
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554801
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554750
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 103754705
4-ethoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108551932
4-tert-butyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554170

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide (CID 108554843) is N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide is COCC(=O)N1CCC(NC(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The InChIKey is XCRUHKDLNZDGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-25-14-18(23)22-12-8-16(9-13-22)20-19(24)15-4-6-17(7-5-15)21-10-2-3-11-21/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,20,24).
What are the key properties of N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 108554843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).