(2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide

C19H23N5O2 — CID 129251128

IUPAC(2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide
SMILESCO[C@@H](C)C(=O)N[C@]1(c2ccc(C#N)c3nccnc23)CNC[C@@H](C)C1
InChIInChI=1S/C19H23N5O2/c1-12-8-19(11-21-10-12,24-18(25)13(2)26-3)15-5-4-14(9-20)16-17(15)23-7-6-22-16/h4-7,12-13,21H,8,10-11H2,1-3H3,(H,24,25)/t12-,13-,19-/m0/s1
InChIKeyDNXCNGHFVCKJBX-JMERFSKESA-N
MW353.43 g/mol
LogP1.48
Rot. Bonds4

About (2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide

(2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide (PubChem CID 129251128) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide
PubChem CID129251128
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide
SMILESCO[C@@H](C)C(=O)N[C@]1(c2ccc(C#N)c3nccnc23)CNC[C@@H](C)C1
InChIInChI=1S/C19H23N5O2/c1-12-8-19(11-21-10-12,24-18(25)13(2)26-3)15-5-4-14(9-20)16-17(15)23-7-6-22-16/h4-7,12-13,21H,8,10-11H2,1-3H3,(H,24,25)/t12-,13-,19-/m0/s1
InChIKeyDNXCNGHFVCKJBX-JMERFSKESA-N
XLogP1.48
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide?
The IUPAC name of (2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide (CID 129251128) is (2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide.
What is the SMILES notation for (2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide?
The canonical SMILES for (2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide is CO[C@@H](C)C(=O)N[C@]1(c2ccc(C#N)c3nccnc23)CNC[C@@H](C)C1.
What is the InChIKey of (2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide?
The InChIKey is DNXCNGHFVCKJBX-JMERFSKESA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-8-19(11-21-10-12,24-18(25)13(2)26-3)15-5-4-14(9-20)16-17(15)23-7-6-22-16/h4-7,12-13,21H,8,10-11H2,1-3H3,(H,24,25)/t12-,13-,19-/m0/s1.
What are the key properties of (2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide?
(2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide has a molecular weight of 353.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide is sourced from PubChem (CID 129251128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).