5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole

C20H28N2O — CID 174348038

IUPAC5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCC(C2CC2C)CC1
InChIInChI=1S/C20H28N2O/c1-13-10-17(13)15-5-8-22(9-6-15)12-18-16-4-7-21-20(16)14(2)11-19(18)23-3/h4,7,11,13,15,17,21H,5-6,8-10,12H2,1-3H3
InChIKeyNACDBSFVTNGNMP-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.35
Rot. Bonds4

About 5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole

5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole (PubChem CID 174348038) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
PubChem CID174348038
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCC(C2CC2C)CC1
InChIInChI=1S/C20H28N2O/c1-13-10-17(13)15-5-8-22(9-6-15)12-18-16-4-7-21-20(16)14(2)11-19(18)23-3/h4,7,11,13,15,17,21H,5-6,8-10,12H2,1-3H3
InChIKeyNACDBSFVTNGNMP-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzoic acid;4-[(4-cyclopropylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 166158520
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
8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane
CID 174346769
4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
CID 174347628
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-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 166460896
4-[(2R,4R)-4-cyclopropyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158625
5-methoxy-7-methyl-4-(piperazin-1-ylmethyl)-1H-indole;methyl benzoate
CID 166460978
4-[(2S,4S)-4-cyclobutyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158652
4-[(2R,4R)-4-cyclobutyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158458
4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole;2-(methylamino)benzoic acid
CID 176939616

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole (CID 174348038) is 5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole is COc1cc(C)c2[nH]ccc2c1CN1CCC(C2CC2C)CC1.
What is the InChIKey of 5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole?
The InChIKey is NACDBSFVTNGNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-13-10-17(13)15-5-8-22(9-6-15)12-18-16-4-7-21-20(16)14(2)11-19(18)23-3/h4,7,11,13,15,17,21H,5-6,8-10,12H2,1-3H3.
What are the key properties of 5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole?
5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole has a molecular weight of 312.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 174348038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).