5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole

C21H30N2O — CID 174346951

IUPAC5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole
SMILESCCCOC1CCN(Cc2c(C3CC3)cc(C)c3[nH]ccc23)CC1
InChIInChI=1S/C21H30N2O/c1-3-12-24-17-7-10-23(11-8-17)14-20-18-6-9-22-21(18)15(2)13-19(20)16-4-5-16/h6,9,13,16-17,22H,3-5,7-8,10-12,14H2,1-2H3
InChIKeyJTTNGJQIAGFWJK-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.74
Rot. Bonds6

About 5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole

5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole (PubChem CID 174346951) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole
PubChem CID174346951
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole
SMILESCCCOC1CCN(Cc2c(C3CC3)cc(C)c3[nH]ccc23)CC1
InChIInChI=1S/C21H30N2O/c1-3-12-24-17-7-10-23(11-8-17)14-20-18-6-9-22-21(18)15(2)13-19(20)16-4-5-16/h6,9,13,16-17,22H,3-5,7-8,10-12,14H2,1-2H3
InChIKeyJTTNGJQIAGFWJK-UHFFFAOYSA-N
XLogP4.74
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole
CID 131994973
5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole
CID 174346481
4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
CID 174347628
7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile
CID 170975589
5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
CID 174348038
5-[(2S,4S)-1-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-4-methoxypiperidin-2-yl]pyridine-2-carboxylic acid
CID 121362594
4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 174347955
3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile
CID 170975574
4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole;2-(methylamino)benzoic acid
CID 176939616
benzoic acid;4-[(4-cyclopropylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 166158520
8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane
CID 174346769
4-[(2S,4S)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-methoxypiperidin-2-yl]benzoic acid
CID 90467757

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole?
The IUPAC name of 5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole (CID 174346951) is 5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole?
The canonical SMILES for 5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole is CCCOC1CCN(Cc2c(C3CC3)cc(C)c3[nH]ccc23)CC1.
What is the InChIKey of 5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole?
The InChIKey is JTTNGJQIAGFWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-3-12-24-17-7-10-23(11-8-17)14-20-18-6-9-22-21(18)15(2)13-19(20)16-4-5-16/h6,9,13,16-17,22H,3-5,7-8,10-12,14H2,1-2H3.
What are the key properties of 5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole?
5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole has a molecular weight of 326.48 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 174346951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).