[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C18H23N5OS — CID 7292425

IUPAC[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C18H23N5OS/c24-18(15-5-4-14-25-15)23-12-10-22(11-13-23)17-7-6-16(19-20-17)21-8-2-1-3-9-21/h4-7,14H,1-3,8-13H2
InChIKeyYQUZYLGJTXJWNY-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.49
Rot. Bonds3

About [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 7292425) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID7292425
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C18H23N5OS/c24-18(15-5-4-14-25-15)23-12-10-22(11-13-23)17-7-6-16(19-20-17)21-8-2-1-3-9-21/h4-7,14H,1-3,8-13H2
InChIKeyYQUZYLGJTXJWNY-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42110651
[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 56700437
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 122334960
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122334961
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 133372675
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223

Frequently Asked Questions

What is the IUPAC name of [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 7292425) is [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is YQUZYLGJTXJWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c24-18(15-5-4-14-25-15)23-12-10-22(11-13-23)17-7-6-16(19-20-17)21-8-2-1-3-9-21/h4-7,14H,1-3,8-13H2.
What are the key properties of [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 357.48 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 7292425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).