[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone

C26H29N5O2 — CID 50847863

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(-c4nccnc4N4CCCC4)c3)CC2)cc1
InChIInChI=1S/C26H29N5O2/c1-33-23-9-7-22(8-10-23)29-15-17-31(18-16-29)26(32)21-6-4-5-20(19-21)24-25(28-12-11-27-24)30-13-2-3-14-30/h4-12,19H,2-3,13-18H2,1H3
InChIKeyQFLWLXYLYWIGIF-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.71
Rot. Bonds5

About [4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone (PubChem CID 50847863) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
PubChem CID50847863
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(-c4nccnc4N4CCCC4)c3)CC2)cc1
InChIInChI=1S/C26H29N5O2/c1-33-23-9-7-22(8-10-23)29-15-17-31(18-16-29)26(32)21-6-4-5-20(19-21)24-25(28-12-11-27-24)30-13-2-3-14-30/h4-12,19H,2-3,13-18H2,1H3
InChIKeyQFLWLXYLYWIGIF-UHFFFAOYSA-N
XLogP3.71
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]methanone
CID 53102246
[2-(azepan-1-yl)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109264955
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 51210361
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50848278
(3-methoxyphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827770
[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
CID 53010018
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
CID 71839946
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone (CID 50847863) is [4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone is COc1ccc(N2CCN(C(=O)c3cccc(-c4nccnc4N4CCCC4)c3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone?
The InChIKey is QFLWLXYLYWIGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-33-23-9-7-22(8-10-23)29-15-17-31(18-16-29)26(32)21-6-4-5-20(19-21)24-25(28-12-11-27-24)30-13-2-3-14-30/h4-12,19H,2-3,13-18H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone has a molecular weight of 443.55 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone is sourced from PubChem (CID 50847863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).