2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one

C20H22N4O2 — CID 126863817

IUPAC2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1
InChIInChI=1S/C20H22N4O2/c1-14-6-7-19(25)24(22-14)13-15-8-10-23(11-9-15)20(26)18-12-16-4-2-3-5-17(16)21-18/h2-7,12,15,21H,8-11,13H2,1H3
InChIKeyNPPNHSQSYFSOMD-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.59
Rot. Bonds3

About 2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one

2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126863817) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126863817
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1
InChIInChI=1S/C20H22N4O2/c1-14-6-7-19(25)24(22-14)13-15-8-10-23(11-9-15)20(26)18-12-16-4-2-3-5-17(16)21-18/h2-7,12,15,21H,8-11,13H2,1H3
InChIKeyNPPNHSQSYFSOMD-UHFFFAOYSA-N
XLogP2.59
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865122
6-tert-butyl-2-[[1-(1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927610
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
CID 70848389
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
6-methyl-2-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863870
1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625464
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126863817) is 2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1.
What is the InChIKey of 2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is NPPNHSQSYFSOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-6-7-19(25)24(22-14)13-15-8-10-23(11-9-15)20(26)18-12-16-4-2-3-5-17(16)21-18/h2-7,12,15,21H,8-11,13H2,1H3.
What are the key properties of 2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 350.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126863817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).