[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone

C25H29N5O — CID 121053897

IUPAC[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nn1
InChIInChI=1S/C25H29N5O/c1-19-6-4-5-13-30(19)24-12-11-23(26-27-24)28-14-16-29(17-15-28)25(31)22-10-9-20-7-2-3-8-21(20)18-22/h2-3,7-12,18-19H,4-6,13-17H2,1H3
InChIKeyXUPFADOQMTVDRV-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.97
Rot. Bonds3

About [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone

[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 121053897) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
PubChem CID121053897
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nn1
InChIInChI=1S/C25H29N5O/c1-19-6-4-5-13-30(19)24-12-11-23(26-27-24)28-14-16-29(17-15-28)25(31)22-10-9-20-7-2-3-8-21(20)18-22/h2-3,7-12,18-19H,4-6,13-17H2,1H3
InChIKeyXUPFADOQMTVDRV-UHFFFAOYSA-N
XLogP3.97
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053406
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053925
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 122335889
(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335846
[4-(dimethylamino)phenyl]-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335819
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335774
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 56699157
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122335890
naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341422
[2-(2-methylpiperidin-1-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166191035
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053870

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone (CID 121053897) is [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone is CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nn1.
What is the InChIKey of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is XUPFADOQMTVDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-19-6-4-5-13-30(19)24-12-11-23(26-27-24)28-14-16-29(17-15-28)25(31)22-10-9-20-7-2-3-8-21(20)18-22/h2-3,7-12,18-19H,4-6,13-17H2,1H3.
What are the key properties of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 415.54 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 121053897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).