5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one

C19H22N4O3 — CID 155987116

IUPAC5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one
SMILESCOc1ccc2[nH]cc(C(=O)N3CCCCC3c3cc(=O)n(C)[nH]3)c2c1
InChIInChI=1S/C19H22N4O3/c1-22-18(24)10-16(21-22)17-5-3-4-8-23(17)19(25)14-11-20-15-7-6-12(26-2)9-13(14)15/h6-7,9-11,17,20-21H,3-5,8H2,1-2H3
InChIKeyYZLIJMFNNJRRCX-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.57
Rot. Bonds3

About 5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one

5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one (PubChem CID 155987116) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one
PubChem CID155987116
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one
SMILESCOc1ccc2[nH]cc(C(=O)N3CCCCC3c3cc(=O)n(C)[nH]3)c2c1
InChIInChI=1S/C19H22N4O3/c1-22-18(24)10-16(21-22)17-5-3-4-8-23(17)19(25)14-11-20-15-7-6-12(26-2)9-13(14)15/h6-7,9-11,17,20-21H,3-5,8H2,1-2H3
InChIKeyYZLIJMFNNJRRCX-UHFFFAOYSA-N
XLogP2.57
TPSA83.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-(5-nitro-1H-indol-3-yl)methanone
CID 99792234
(5-bromo-1H-indol-3-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 45354604
3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 51091748
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 127246684
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 125012958
1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 663738
1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176125
1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110855888
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 63116363
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 103551734

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one (CID 155987116) is 5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one is COc1ccc2[nH]cc(C(=O)N3CCCCC3c3cc(=O)n(C)[nH]3)c2c1.
What is the InChIKey of 5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one?
The InChIKey is YZLIJMFNNJRRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22-18(24)10-16(21-22)17-5-3-4-8-23(17)19(25)14-11-20-15-7-6-12(26-2)9-13(14)15/h6-7,9-11,17,20-21H,3-5,8H2,1-2H3.
What are the key properties of 5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one?
5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one has a molecular weight of 354.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methoxy-1H-indole-3-carbonyl)piperidin-2-yl]-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 155987116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).