[4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone

C27H32N6O — CID 30365263

IUPAC[4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3cccnc3)nn2)CC1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C27H32N6O/c34-27(33-19-17-31(18-20-33)14-10-22-5-2-1-3-6-22)23-11-15-32(16-12-23)26-9-8-25(29-30-26)24-7-4-13-28-21-24/h1-9,13,21,23H,10-12,14-20H2
InChIKeyFJNAJTSXFHPIKC-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.14
Rot. Bonds6

About [4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone

[4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone (PubChem CID 30365263) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is [4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone
PubChem CID30365263
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name[4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3cccnc3)nn2)CC1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C27H32N6O/c34-27(33-19-17-31(18-20-33)14-10-22-5-2-1-3-6-22)23-11-15-32(16-12-23)26-9-8-25(29-30-26)24-7-4-13-28-21-24/h1-9,13,21,23H,10-12,14-20H2
InChIKeyFJNAJTSXFHPIKC-UHFFFAOYSA-N
XLogP3.14
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 30361199
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30365181
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121072082
[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90514850
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866607
N-[(1S)-1-phenylethyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30867017
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058422
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121070942
[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163351464

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone (CID 30365263) is [4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ccc(-c3cccnc3)nn2)CC1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The InChIKey is FJNAJTSXFHPIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c34-27(33-19-17-31(18-20-33)14-10-22-5-2-1-3-6-22)23-11-15-32(16-12-23)26-9-8-25(29-30-26)24-7-4-13-28-21-24/h1-9,13,21,23H,10-12,14-20H2.
What are the key properties of [4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone?
[4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone has a molecular weight of 456.59 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 30365263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).