[4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone

C22H24N4O2 — CID 71841024

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(-c4ccncc4)cn3C)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-24-16-18(17-6-8-23-9-7-17)14-21(24)22(27)26-12-10-25(11-13-26)19-4-3-5-20(15-19)28-2/h3-9,14-16H,10-13H2,1-2H3
InChIKeyMQOSRUCLTANMSX-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.06
Rot. Bonds4

About [4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone

[4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone (PubChem CID 71841024) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone
PubChem CID71841024
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(-c4ccncc4)cn3C)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-24-16-18(17-6-8-23-9-7-17)14-21(24)22(27)26-12-10-25(11-13-26)19-4-3-5-20(15-19)28-2/h3-9,14-16H,10-13H2,1-2H3
InChIKeyMQOSRUCLTANMSX-UHFFFAOYSA-N
XLogP3.06
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone (CID 71841024) is [4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone is COc1cccc(N2CCN(C(=O)c3cc(-c4ccncc4)cn3C)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone?
The InChIKey is MQOSRUCLTANMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-24-16-18(17-6-8-23-9-7-17)14-21(24)22(27)26-12-10-25(11-13-26)19-4-3-5-20(15-19)28-2/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-(1-methyl-4-pyridin-4-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 71841024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).