5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one

C18H23N3O — CID 19037551

IUPAC5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one
SMILESCN1CCC(N2CCc3c(c4ccccc4n3C)C2=O)CC1
InChIInChI=1S/C18H23N3O/c1-19-10-7-13(8-11-19)21-12-9-16-17(18(21)22)14-5-3-4-6-15(14)20(16)2/h3-6,13H,7-12H2,1-2H3
InChIKeySOCGKNJVDGXGAO-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.27
Rot. Bonds1

About 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one

5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one (PubChem CID 19037551) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one
PubChem CID19037551
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one
SMILESCN1CCC(N2CCc3c(c4ccccc4n3C)C2=O)CC1
InChIInChI=1S/C18H23N3O/c1-19-10-7-13(8-11-19)21-12-9-16-17(18(21)22)14-5-3-4-6-15(14)20(16)2/h3-6,13H,7-12H2,1-2H3
InChIKeySOCGKNJVDGXGAO-UHFFFAOYSA-N
XLogP2.27
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazepin-2-one
CID 142020551
2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 674261
12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene
CID 122365826
5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
CID 18957726
5-methyl-2-[(5-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
CID 139221242
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
CID 2099
5-methyl-6H-indeno[2,1-b]indole
CID 13129411
3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one
CID 142020638
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 90979720
N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine
CID 603347
1-(1-methylpiperidin-4-yl)indole-2,3-dione
CID 168796503
ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 91529141

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one?
The IUPAC name of 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one (CID 19037551) is 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one.
What is the SMILES notation for 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one?
The canonical SMILES for 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one is CN1CCC(N2CCc3c(c4ccccc4n3C)C2=O)CC1.
What is the InChIKey of 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one?
The InChIKey is SOCGKNJVDGXGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-19-10-7-13(8-11-19)21-12-9-16-17(18(21)22)14-5-3-4-6-15(14)20(16)2/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one?
5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one has a molecular weight of 297.40 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one is sourced from PubChem (CID 19037551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).