[4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone

C22H22N4O2 — CID 71841629

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(-c4cccnc4)nc3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c1-28-20-7-5-19(6-8-20)25-11-13-26(14-12-25)22(27)18-4-9-21(24-16-18)17-3-2-10-23-15-17/h2-10,15-16H,11-14H2,1H3
InChIKeyBPIXTNVMSLCXDF-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.11
Rot. Bonds4

About [4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone (PubChem CID 71841629) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone
PubChem CID71841629
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(-c4cccnc4)nc3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c1-28-20-7-5-19(6-8-20)25-11-13-26(14-12-25)22(27)18-4-9-21(24-16-18)17-3-2-10-23-15-17/h2-10,15-16H,11-14H2,1H3
InChIKeyBPIXTNVMSLCXDF-UHFFFAOYSA-N
XLogP3.11
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone (CID 71841629) is [4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone is COc1ccc(N2CCN(C(=O)c3ccc(-c4cccnc4)nc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone?
The InChIKey is BPIXTNVMSLCXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-20-7-5-19(6-8-20)25-11-13-26(14-12-25)22(27)18-4-9-21(24-16-18)17-3-2-10-23-15-17/h2-10,15-16H,11-14H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone has a molecular weight of 374.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(6-pyridin-3-yl-3-pyridinyl)methanone is sourced from PubChem (CID 71841629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).