5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide

C22H23N3O3 — CID 49358563

IUPAC5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)o1
InChIInChI=1S/C22H23N3O3/c1-16-7-8-20(28-16)21(26)23-18-9-13-25(14-10-18)22(27)17-5-4-6-19(15-17)24-11-2-3-12-24/h2-8,11-12,15,18H,9-10,13-14H2,1H3,(H,23,26)
InChIKeyATICAOIOCTXFLX-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.41
Rot. Bonds4

About 5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide

5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 49358563) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID49358563
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)o1
InChIInChI=1S/C22H23N3O3/c1-16-7-8-20(28-16)21(26)23-18-9-13-25(14-10-18)22(27)17-5-4-6-19(15-17)24-11-2-3-12-24/h2-8,11-12,15,18H,9-10,13-14H2,1H3,(H,23,26)
InChIKeyATICAOIOCTXFLX-UHFFFAOYSA-N
XLogP3.41
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 49358427
N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49358466
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 49358828
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771763
N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49411897
[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 32532603
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide (CID 49358563) is 5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide is Cc1ccc(C(=O)NC2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)o1.
What is the InChIKey of 5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is ATICAOIOCTXFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-7-8-20(28-16)21(26)23-18-9-13-25(14-10-18)22(27)17-5-4-6-19(15-17)24-11-2-3-12-24/h2-8,11-12,15,18H,9-10,13-14H2,1H3,(H,23,26).
What are the key properties of 5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide?
5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 49358563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).