5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide

C18H26N3O3+ — CID 7645250

IUPAC5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)N(C)C3CC[NH+](C)CC3)[nH]c2cc1OC
InChIInChI=1S/C18H25N3O3/c1-20-7-5-13(6-8-20)21(2)18(22)15-9-12-10-16(23-3)17(24-4)11-14(12)19-15/h9-11,13,19H,5-8H2,1-4H3/p+1
InChIKeyCSMWYHUYYGTQIN-UHFFFAOYSA-O
MW332.42 g/mol
LogP0.93
Rot. Bonds4

About 5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide

5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide (PubChem CID 7645250) has the molecular formula C18H26N3O3+ and a molecular weight of 332.42 g/mol. Its IUPAC name is 5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide
PubChem CID7645250
Molecular FormulaC18H26N3O3+
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)N(C)C3CC[NH+](C)CC3)[nH]c2cc1OC
InChIInChI=1S/C18H25N3O3/c1-20-7-5-13(6-8-20)21(2)18(22)15-9-12-10-16(23-3)17(24-4)11-14(12)19-15/h9-11,13,19H,5-8H2,1-4H3/p+1
InChIKeyCSMWYHUYYGTQIN-UHFFFAOYSA-O
XLogP0.93
TPSA59.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 43611577
(5,6-dimethoxy-1H-indol-2-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7618209
(5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7618198
methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride
CID 44663549
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 91636949
[(3R,4S)-3,4-bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
CID 167896070
2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82183835
N-cyclopentyl-3-methoxy-N-methylnaphthalene-2-carboxamide
CID 30394493
2,6-dimethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602191
N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4976318
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
CID 67170444

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide (CID 7645250) is 5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide is COc1cc2cc(C(=O)N(C)C3CC[NH+](C)CC3)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide?
The InChIKey is CSMWYHUYYGTQIN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O3/c1-20-7-5-13(6-8-20)21(2)18(22)15-9-12-10-16(23-3)17(24-4)11-14(12)19-15/h9-11,13,19H,5-8H2,1-4H3/p+1.
What are the key properties of 5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide?
5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 7645250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).