2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide

C20H27N5O2 — CID 166777898

IUPAC2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide
SMILESCc1ccc(N2C[C@@H](C)C[C@@H](NC(=O)CN3CC(O)C3)C2)c2nccnc12
InChIInChI=1S/C20H27N5O2/c1-13-7-15(23-18(27)12-24-10-16(26)11-24)9-25(8-13)17-4-3-14(2)19-20(17)22-6-5-21-19/h3-6,13,15-16,26H,7-12H2,1-2H3,(H,23,27)/t13-,15+/m0/s1
InChIKeyDGOVXDLZWLUGQC-DZGCQCFKSA-N
MW369.47 g/mol
LogP0.95
Rot. Bonds4

About 2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide

2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide (PubChem CID 166777898) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide
PubChem CID166777898
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide
SMILESCc1ccc(N2C[C@@H](C)C[C@@H](NC(=O)CN3CC(O)C3)C2)c2nccnc12
InChIInChI=1S/C20H27N5O2/c1-13-7-15(23-18(27)12-24-10-16(26)11-24)9-25(8-13)17-4-3-14(2)19-20(17)22-6-5-21-19/h3-6,13,15-16,26H,7-12H2,1-2H3,(H,23,27)/t13-,15+/m0/s1
InChIKeyDGOVXDLZWLUGQC-DZGCQCFKSA-N
XLogP0.95
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide (CID 166777898) is 2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide is Cc1ccc(N2C[C@@H](C)C[C@@H](NC(=O)CN3CC(O)C3)C2)c2nccnc12.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide?
The InChIKey is DGOVXDLZWLUGQC-DZGCQCFKSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13-7-15(23-18(27)12-24-10-16(26)11-24)9-25(8-13)17-4-3-14(2)19-20(17)22-6-5-21-19/h3-6,13,15-16,26H,7-12H2,1-2H3,(H,23,27)/t13-,15+/m0/s1.
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide?
2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 166777898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).