[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

C16H19N3O2 — CID 51211150

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc[nH]3)CC2)cc1
InChIInChI=1S/C16H19N3O2/c1-21-14-6-4-13(5-7-14)18-9-11-19(12-10-18)16(20)15-3-2-8-17-15/h2-8,17H,9-12H2,1H3
InChIKeyFSYFURYVOAEBHI-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.99
Rot. Bonds3

About [4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 51211150) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID51211150
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc[nH]3)CC2)cc1
InChIInChI=1S/C16H19N3O2/c1-21-14-6-4-13(5-7-14)18-9-11-19(12-10-18)16(20)15-3-2-8-17-15/h2-8,17H,9-12H2,1H3
InChIKeyFSYFURYVOAEBHI-UHFFFAOYSA-N
XLogP1.99
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 110856456
(4-phenylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 51210665
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
(2,4-dimethoxyphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816641
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046465

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 51211150) is [4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is COc1ccc(N2CCN(C(=O)c3ccc[nH]3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is FSYFURYVOAEBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-14-6-4-13(5-7-14)18-9-11-19(12-10-18)16(20)15-3-2-8-17-15/h2-8,17H,9-12H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 51211150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).