(3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide

C21H27N5O — CID 129241062

IUPAC(3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide
SMILESCC[C@@H](C)CC(=O)N[C@@H]1C[C@H](C)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C21H27N5O/c1-4-14(2)10-19(27)25-17-9-15(3)12-26(13-17)18-6-5-16(11-22)20-21(18)24-8-7-23-20/h5-8,14-15,17H,4,9-10,12-13H2,1-3H3,(H,25,27)/t14-,15+,17-/m1/s1
InChIKeyBZEZNAPWYFSNKH-HLLBOEOZSA-N
MW365.48 g/mol
LogP3.27
Rot. Bonds5

About (3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide

(3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide (PubChem CID 129241062) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide.

Molecular Properties

Compound Name(3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide
PubChem CID129241062
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide
SMILESCC[C@@H](C)CC(=O)N[C@@H]1C[C@H](C)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C21H27N5O/c1-4-14(2)10-19(27)25-17-9-15(3)12-26(13-17)18-6-5-16(11-22)20-21(18)24-8-7-23-20/h5-8,14-15,17H,4,9-10,12-13H2,1-3H3,(H,25,27)/t14-,15+,17-/m1/s1
InChIKeyBZEZNAPWYFSNKH-HLLBOEOZSA-N
XLogP3.27
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide?
The IUPAC name of (3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide (CID 129241062) is (3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide.
What is the SMILES notation for (3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide?
The canonical SMILES for (3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide is CC[C@@H](C)CC(=O)N[C@@H]1C[C@H](C)CN(c2ccc(C#N)c3nccnc23)C1.
What is the InChIKey of (3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide?
The InChIKey is BZEZNAPWYFSNKH-HLLBOEOZSA-N. The full InChI is InChI=1S/C21H27N5O/c1-4-14(2)10-19(27)25-17-9-15(3)12-26(13-17)18-6-5-16(11-22)20-21(18)24-8-7-23-20/h5-8,14-15,17H,4,9-10,12-13H2,1-3H3,(H,25,27)/t14-,15+,17-/m1/s1.
What are the key properties of (3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide?
(3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide has a molecular weight of 365.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide is sourced from PubChem (CID 129241062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).