(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

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

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Related Compounds

N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide
CID 129251140
N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide
CID 129251076
(2S)-2-amino-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 129251078
3,3-dimethyl-N-[(3R,5S)-5-methyl-3-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]butanamide
CID 129250826
(2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
CID 129250943
2-(1-methylpyrrolidin-3-yl)-N-[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetamide
CID 129251043
tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129251066
(2S)-2-hydroxy-3-methyl-N-[(3S,5R)-3-pyrido[2,3-b]pyrazin-8-yl-5-(trifluoromethyl)piperidin-3-yl]butanamide;hydrochloride
CID 129251260
N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 129250924
(3R)-1-methyl-3-[[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]pyrrolidin-2-one
CID 129251039
N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-2-(2,2-difluorocyclopropyl)acetamide
CID 134254210
tert-butyl N-[1-[2-[[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]-2-oxoethyl]azetidin-3-yl]carbamate
CID 129251082

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).