5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one

C23H31N5O2 — CID 53203901

IUPAC5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCc1cccc(N2CCN(C(=O)C3CCCN(c4cnn(C)c(=O)c4)C3)CC2)c1C
InChIInChI=1S/C23H31N5O2/c1-17-6-4-8-21(18(17)2)26-10-12-27(13-11-26)23(30)19-7-5-9-28(16-19)20-14-22(29)25(3)24-15-20/h4,6,8,14-15,19H,5,7,9-13,16H2,1-3H3
InChIKeyZKRARMFSZGDZKZ-UHFFFAOYSA-N
MW409.53 g/mol
LogP1.96
Rot. Bonds3

About 5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one

5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 53203901) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one
PubChem CID53203901
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCc1cccc(N2CCN(C(=O)C3CCCN(c4cnn(C)c(=O)c4)C3)CC2)c1C
InChIInChI=1S/C23H31N5O2/c1-17-6-4-8-21(18(17)2)26-10-12-27(13-11-26)23(30)19-7-5-9-28(16-19)20-14-22(29)25(3)24-15-20/h4,6,8,14-15,19H,5,7,9-13,16H2,1-3H3
InChIKeyZKRARMFSZGDZKZ-UHFFFAOYSA-N
XLogP1.96
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 97206841
5-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53204011
2-benzyl-5-[(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one
CID 95116029
[1-(azepan-1-ylsulfonyl)piperidin-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 20911317
2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one
CID 97277077
[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 43926003
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 20929442
2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one
CID 28909109
1-tert-butyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17081187
[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131851
N-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203904
4-[(3R)-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-[(1S)-1-thiophen-2-ylethyl]isoindole-1,3-dione
CID 125178672

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one (CID 53203901) is 5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one is Cc1cccc(N2CCN(C(=O)C3CCCN(c4cnn(C)c(=O)c4)C3)CC2)c1C.
What is the InChIKey of 5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is ZKRARMFSZGDZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-17-6-4-8-21(18(17)2)26-10-12-27(13-11-26)23(30)19-7-5-9-28(16-19)20-14-22(29)25(3)24-15-20/h4,6,8,14-15,19H,5,7,9-13,16H2,1-3H3.
What are the key properties of 5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one?
5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 409.53 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 53203901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).