(4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone

C21H29N3O3S — CID 59315901

IUPAC(4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone
SMILESCCCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CNCC2
InChIInChI=1S/C21H29N3O3S/c1-3-12-28(26,27)24-19-5-4-16(21(25)23-10-7-15(2)8-11-23)13-17(19)18-14-22-9-6-20(18)24/h4-5,13,15,22H,3,6-12,14H2,1-2H3
InChIKeyPNMWAQIPYJDQHN-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.75
Rot. Bonds4

About (4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone

(4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone (PubChem CID 59315901) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone
PubChem CID59315901
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name(4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone
SMILESCCCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CNCC2
InChIInChI=1S/C21H29N3O3S/c1-3-12-28(26,27)24-19-5-4-16(21(25)23-10-7-15(2)8-11-23)13-17(19)18-14-22-9-6-20(18)24/h4-5,13,15,22H,3,6-12,14H2,1-2H3
InChIKeyPNMWAQIPYJDQHN-UHFFFAOYSA-N
XLogP2.75
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone (CID 59315901) is (4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone is CCCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CNCC2.
What is the InChIKey of (4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone?
The InChIKey is PNMWAQIPYJDQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-3-12-28(26,27)24-19-5-4-16(21(25)23-10-7-15(2)8-11-23)13-17(19)18-14-22-9-6-20(18)24/h4-5,13,15,22H,3,6-12,14H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone?
(4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone has a molecular weight of 403.55 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone is sourced from PubChem (CID 59315901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).