3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine

C15H20N4O — CID 71643025

IUPAC3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
SMILESCOc1nc2ccccc2nc1N(C)[C@H]1CCCNC1
InChIInChI=1S/C15H20N4O/c1-19(11-6-5-9-16-10-11)14-15(20-2)18-13-8-4-3-7-12(13)17-14/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyTUTQGOQYCKHTRR-NSHDSACASA-N
MW272.35 g/mol
LogP1.83
Rot. Bonds3

About 3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine

3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine (PubChem CID 71643025) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
PubChem CID71643025
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
SMILESCOc1nc2ccccc2nc1N(C)[C@H]1CCCNC1
InChIInChI=1S/C15H20N4O/c1-19(11-6-5-9-16-10-11)14-15(20-2)18-13-8-4-3-7-12(13)17-14/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyTUTQGOQYCKHTRR-NSHDSACASA-N
XLogP1.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71643020
3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71639633
3-ethoxy-N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639631
3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639635
2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642503
N,3-dimethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 55205906
N-methyl-N-piperidin-3-ylquinazolin-4-amine
CID 55249323
N-methyl-N-piperidin-3-ylquinolin-2-amine
CID 63642355
2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine
CID 71642505
2-N,3-N-dimethyl-3-N-[(3R)-pyrrolidin-3-yl]quinoxaline-2,3-diamine;hydrochloride
CID 71642500
2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline
CID 97164923
N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 71640920

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine (CID 71643025) is 3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine is COc1nc2ccccc2nc1N(C)[C@H]1CCCNC1.
What is the InChIKey of 3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine?
The InChIKey is TUTQGOQYCKHTRR-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O/c1-19(11-6-5-9-16-10-11)14-15(20-2)18-13-8-4-3-7-12(13)17-14/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine?
3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine is sourced from PubChem (CID 71643025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).