1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone

C19H25N3O — CID 937085

IUPAC1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone
SMILESCc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCCCC1)CC3
InChIInChI=1S/C19H25N3O/c1-14-5-6-17-15(11-14)16-12-22(10-7-18(16)20-17)19(23)13-21-8-3-2-4-9-21/h5-6,11,20H,2-4,7-10,12-13H2,1H3
InChIKeyAZFMNAPGASLYTP-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.85
Rot. Bonds2

About 1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone

1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone (PubChem CID 937085) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone
PubChem CID937085
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone
SMILESCc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCCCC1)CC3
InChIInChI=1S/C19H25N3O/c1-14-5-6-17-15(11-14)16-12-22(10-7-18(16)20-17)19(23)13-21-8-3-2-4-9-21/h5-6,11,20H,2-4,7-10,12-13H2,1H3
InChIKeyAZFMNAPGASLYTP-UHFFFAOYSA-N
XLogP2.85
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone (CID 937085) is 1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone is Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCCCC1)CC3.
What is the InChIKey of 1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone?
The InChIKey is AZFMNAPGASLYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-5-6-17-15(11-14)16-12-22(10-7-18(16)20-17)19(23)13-21-8-3-2-4-9-21/h5-6,11,20H,2-4,7-10,12-13H2,1H3.
What are the key properties of 1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone?
1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone has a molecular weight of 311.43 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 937085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).