(3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone

C21H26N4O2 — CID 126787585

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCCc1nn(C)cc1C(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1
InChIInChI=1S/C21H26N4O2/c1-4-19-18(13-24(2)23-19)21(26)25-9-7-14(8-10-25)17-12-22-20-6-5-15(27-3)11-16(17)20/h5-6,11-14,22H,4,7-10H2,1-3H3
InChIKeyQJTBEVKLUQCVQP-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.49
Rot. Bonds4

About (3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone

(3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 126787585) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID126787585
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCCc1nn(C)cc1C(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1
InChIInChI=1S/C21H26N4O2/c1-4-19-18(13-24(2)23-19)21(26)25-9-7-14(8-10-25)17-12-22-20-6-5-15(27-3)11-16(17)20/h5-6,11-14,22H,4,7-10H2,1-3H3
InChIKeyQJTBEVKLUQCVQP-UHFFFAOYSA-N
XLogP3.49
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 86833054
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-pyrimidin-5-ylethanone
CID 100729080
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 126769292
propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate
CID 86837322

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone (CID 126787585) is (3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone is CCc1nn(C)cc1C(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is QJTBEVKLUQCVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-4-19-18(13-24(2)23-19)21(26)25-9-7-14(8-10-25)17-12-22-20-6-5-15(27-3)11-16(17)20/h5-6,11-14,22H,4,7-10H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
(3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126787585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).