5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole

C18H22N4O — CID 122140104

IUPAC5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCN(Cc4ccn[nH]4)CC3)c2c1
InChIInChI=1S/C18H22N4O/c1-23-15-2-3-18-16(10-15)17(11-19-18)13-5-8-22(9-6-13)12-14-4-7-20-21-14/h2-4,7,10-11,13,19H,5-6,8-9,12H2,1H3,(H,20,21)
InChIKeyRLAHFQAOBGJPJZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.28
Rot. Bonds4

About 5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole

5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole (PubChem CID 122140104) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
PubChem CID122140104
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCN(Cc4ccn[nH]4)CC3)c2c1
InChIInChI=1S/C18H22N4O/c1-23-15-2-3-18-16(10-15)17(11-19-18)13-5-8-22(9-6-13)12-14-4-7-20-21-14/h2-4,7,10-11,13,19H,5-6,8-9,12H2,1H3,(H,20,21)
InChIKeyRLAHFQAOBGJPJZ-UHFFFAOYSA-N
XLogP3.28
TPSA56.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 71925957
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
3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol
CID 21469424
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole
CID 56574521
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
(1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol
CID 95172600
7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole
CID 21469370

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole (CID 122140104) is 5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole is COc1ccc2[nH]cc(C3CCN(Cc4ccn[nH]4)CC3)c2c1.
What is the InChIKey of 5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
The InChIKey is RLAHFQAOBGJPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-23-15-2-3-18-16(10-15)17(11-19-18)13-5-8-22(9-6-13)12-14-4-7-20-21-14/h2-4,7,10-11,13,19H,5-6,8-9,12H2,1H3,(H,20,21).
What are the key properties of 5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole has a molecular weight of 310.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 122140104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).