3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile

C19H25N3O — CID 170975574

IUPAC3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCC(CCC#N)CC1
InChIInChI=1S/C19H25N3O/c1-14-12-18(23-2)17(16-5-9-21-19(14)16)13-22-10-6-15(7-11-22)4-3-8-20/h5,9,12,15,21H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyOYMJAXXYEJTGFV-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.00
Rot. Bonds5

About 3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile

3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile (PubChem CID 170975574) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile.

Molecular Properties

Compound Name3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile
PubChem CID170975574
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCC(CCC#N)CC1
InChIInChI=1S/C19H25N3O/c1-14-12-18(23-2)17(16-5-9-21-19(14)16)13-22-10-6-15(7-11-22)4-3-8-20/h5,9,12,15,21H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyOYMJAXXYEJTGFV-UHFFFAOYSA-N
XLogP4.00
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
CID 174348038
4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 174347955
benzoic acid;4-[(4-cyclopropylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 166158520
4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 166460896
8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane
CID 174346769
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-(cyclopropylmethoxy)piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole;2-(methylamino)benzoic acid
CID 176939616
4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
CID 174347628
benzoic acid;4-[[4-(1,1-difluoropropan-2-yl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 166461004
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]azepan-2-yl]benzoic acid
CID 90466744
5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole
CID 131994973

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile?
The IUPAC name of 3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile (CID 170975574) is 3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile.
What is the SMILES notation for 3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile?
The canonical SMILES for 3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile is COc1cc(C)c2[nH]ccc2c1CN1CCC(CCC#N)CC1.
What is the InChIKey of 3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile?
The InChIKey is OYMJAXXYEJTGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-12-18(23-2)17(16-5-9-21-19(14)16)13-22-10-6-15(7-11-22)4-3-8-20/h5,9,12,15,21H,3-4,6-7,10-11,13H2,1-2H3.
What are the key properties of 3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile?
3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile has a molecular weight of 311.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile is sourced from PubChem (CID 170975574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).