1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide

C16H21N5O — CID 162754024

IUPAC1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide
SMILESCN1CCNc2cc(C#N)c(N3CCC(C(N)=O)CC3)cc21
InChIInChI=1S/C16H21N5O/c1-20-7-4-19-13-8-12(10-17)14(9-15(13)20)21-5-2-11(3-6-21)16(18)22/h8-9,11,19H,2-7H2,1H3,(H2,18,22)
InChIKeyULBCYEGIDWKFEN-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.12
Rot. Bonds2

About 1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide

1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide (PubChem CID 162754024) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide
PubChem CID162754024
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide
SMILESCN1CCNc2cc(C#N)c(N3CCC(C(N)=O)CC3)cc21
InChIInChI=1S/C16H21N5O/c1-20-7-4-19-13-8-12(10-17)14(9-15(13)20)21-5-2-11(3-6-21)16(18)22/h8-9,11,19H,2-7H2,1H3,(H2,18,22)
InChIKeyULBCYEGIDWKFEN-UHFFFAOYSA-N
XLogP1.12
TPSA85.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide (CID 162754024) is 1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide is CN1CCNc2cc(C#N)c(N3CCC(C(N)=O)CC3)cc21.
What is the InChIKey of 1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide?
The InChIKey is ULBCYEGIDWKFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20-7-4-19-13-8-12(10-17)14(9-15(13)20)21-5-2-11(3-6-21)16(18)22/h8-9,11,19H,2-7H2,1H3,(H2,18,22).
What are the key properties of 1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide?
1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-cyano-4-methyl-2,3-dihydro-1H-quinoxalin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 162754024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).