(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone

C27H31N5O — CID 30866604

IUPAC(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3ccccc3)nn2)CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H31N5O/c33-27(32-19-17-30(18-20-32)21-22-7-3-1-4-8-22)24-13-15-31(16-14-24)26-12-11-25(28-29-26)23-9-5-2-6-10-23/h1-12,24H,13-21H2
InChIKeyFRBCVOWSKNYVQK-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.70
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone

(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone (PubChem CID 30866604) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
PubChem CID30866604
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC Name(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3ccccc3)nn2)CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H31N5O/c33-27(32-19-17-30(18-20-32)21-22-7-3-1-4-8-22)24-13-15-31(16-14-24)26-12-11-25(28-29-26)23-9-5-2-6-10-23/h1-12,24H,13-21H2
InChIKeyFRBCVOWSKNYVQK-UHFFFAOYSA-N
XLogP3.70
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone (CID 30866604) is (4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ccc(-c3ccccc3)nn2)CC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone?
The InChIKey is FRBCVOWSKNYVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c33-27(32-19-17-30(18-20-32)21-22-7-3-1-4-8-22)24-13-15-31(16-14-24)26-12-11-25(28-29-26)23-9-5-2-6-10-23/h1-12,24H,13-21H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone?
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone has a molecular weight of 441.58 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 30866604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).