4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide

C25H29N3O4 — CID 23654560

IUPAC4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2cc(C3CCN(C(=O)N(C)O)CC3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H29N3O4/c1-27(30)25(29)28-14-12-18(13-15-28)23-16-22(17-4-8-20(31-2)9-5-17)24(26-23)19-6-10-21(32-3)11-7-19/h4-11,16,18,26,30H,12-15H2,1-3H3
InChIKeyZYRMDSGWKUZXGZ-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.99
Rot. Bonds5

About 4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide

4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide (PubChem CID 23654560) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
PubChem CID23654560
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2cc(C3CCN(C(=O)N(C)O)CC3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H29N3O4/c1-27(30)25(29)28-14-12-18(13-15-28)23-16-22(17-4-8-20(31-2)9-5-17)24(26-23)19-6-10-21(32-3)11-7-19/h4-11,16,18,26,30H,12-15H2,1-3H3
InChIKeyZYRMDSGWKUZXGZ-UHFFFAOYSA-N
XLogP4.99
TPSA78.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide (CID 23654560) is 4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide is COc1ccc(-c2cc(C3CCN(C(=O)N(C)O)CC3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The InChIKey is ZYRMDSGWKUZXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-27(30)25(29)28-14-12-18(13-15-28)23-16-22(17-4-8-20(31-2)9-5-17)24(26-23)19-6-10-21(32-3)11-7-19/h4-11,16,18,26,30H,12-15H2,1-3H3.
What are the key properties of 4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 23654560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).