5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole

C17H24N2O — CID 47538804

IUPAC5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCN(C(C)C)CC3)c2c1
InChIInChI=1S/C17H24N2O/c1-12(2)19-8-6-13(7-9-19)16-11-18-17-5-4-14(20-3)10-15(16)17/h4-5,10-13,18H,6-9H2,1-3H3
InChIKeyYDYMZWFWMYWUEH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.76
Rot. Bonds3

About 5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole

5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole (PubChem CID 47538804) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
PubChem CID47538804
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCN(C(C)C)CC3)c2c1
InChIInChI=1S/C17H24N2O/c1-12(2)19-8-6-13(7-9-19)16-11-18-17-5-4-14(20-3)10-15(16)17/h4-5,10-13,18H,6-9H2,1-3H3
InChIKeyYDYMZWFWMYWUEH-UHFFFAOYSA-N
XLogP3.76
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole
CID 133298637
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole
CID 56574521
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 126769292
5-methoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087575
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
CID 122140104
2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 23655676

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole?
The IUPAC name of 5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole (CID 47538804) is 5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole is COc1ccc2[nH]cc(C3CCN(C(C)C)CC3)c2c1.
What is the InChIKey of 5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole?
The InChIKey is YDYMZWFWMYWUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)19-8-6-13(7-9-19)16-11-18-17-5-4-14(20-3)10-15(16)17/h4-5,10-13,18H,6-9H2,1-3H3.
What are the key properties of 5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole?
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole has a molecular weight of 272.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 47538804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).