1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one

C19H23N3O — CID 90461802

IUPAC1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one
SMILESCc1[nH]ccc2c3ccc(=O)cc3n(CCN3CCCCC3)c12
InChIInChI=1S/C19H23N3O/c1-14-19-17(7-8-20-14)16-6-5-15(23)13-18(16)22(19)12-11-21-9-3-2-4-10-21/h5-8,13,20H,2-4,9-12H2,1H3
InChIKeyOVHZFQNLBGTTNY-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.28
Rot. Bonds3

About 1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one

1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one (PubChem CID 90461802) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one.

Molecular Properties

Compound Name1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one
PubChem CID90461802
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one
SMILESCc1[nH]ccc2c3ccc(=O)cc3n(CCN3CCCCC3)c12
InChIInChI=1S/C19H23N3O/c1-14-19-17(7-8-20-14)16-6-5-15(23)13-18(16)22(19)12-11-21-9-3-2-4-10-21/h5-8,13,20H,2-4,9-12H2,1H3
InChIKeyOVHZFQNLBGTTNY-UHFFFAOYSA-N
XLogP3.28
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one?
The IUPAC name of 1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one (CID 90461802) is 1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one.
What is the SMILES notation for 1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one?
The canonical SMILES for 1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one is Cc1[nH]ccc2c3ccc(=O)cc3n(CCN3CCCCC3)c12.
What is the InChIKey of 1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one?
The InChIKey is OVHZFQNLBGTTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-19-17(7-8-20-14)16-6-5-15(23)13-18(16)22(19)12-11-21-9-3-2-4-10-21/h5-8,13,20H,2-4,9-12H2,1H3.
What are the key properties of 1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one?
1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one has a molecular weight of 309.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one is sourced from PubChem (CID 90461802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).