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

C20H28N2O — CID 174347955

IUPAC4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCC(C)(C2CC2)CC1
InChIInChI=1S/C20H28N2O/c1-14-12-18(23-3)17(16-6-9-21-19(14)16)13-22-10-7-20(2,8-11-22)15-4-5-15/h6,9,12,15,21H,4-5,7-8,10-11,13H2,1-3H3
InChIKeyXFUUGLISFMOPKY-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.50
Rot. Bonds4

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

4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole (PubChem CID 174347955) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole.

Molecular Properties

Compound Name4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
PubChem CID174347955
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCC(C)(C2CC2)CC1
InChIInChI=1S/C20H28N2O/c1-14-12-18(23-3)17(16-6-9-21-19(14)16)13-22-10-7-20(2,8-11-22)15-4-5-15/h6,9,12,15,21H,4-5,7-8,10-11,13H2,1-3H3
InChIKeyXFUUGLISFMOPKY-UHFFFAOYSA-N
XLogP4.50
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane
CID 174346769
5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
CID 174348038
3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile
CID 170975574
4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 166460896
benzoic acid;4-[(4-cyclopropylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 166158520
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 171840786
4-[4-fluoro-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzoic acid
CID 166158504
5-methoxy-7-methyl-4-(piperazin-1-ylmethyl)-1H-indole;methyl benzoate
CID 166460978
4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4,4-dimethylpiperidin-2-yl]benzoic acid
CID 90466446
4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
CID 174347628
4-[3-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]benzoic acid
CID 176842206
5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole
CID 131994973

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole?
The IUPAC name of 4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole (CID 174347955) is 4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole.
What is the SMILES notation for 4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole?
The canonical SMILES for 4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole is COc1cc(C)c2[nH]ccc2c1CN1CCC(C)(C2CC2)CC1.
What is the InChIKey of 4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole?
The InChIKey is XFUUGLISFMOPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-14-12-18(23-3)17(16-6-9-21-19(14)16)13-22-10-7-20(2,8-11-22)15-4-5-15/h6,9,12,15,21H,4-5,7-8,10-11,13H2,1-3H3.
What are the key properties of 4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole?
4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole has a molecular weight of 312.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole is sourced from PubChem (CID 174347955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).