N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

C24H32N6O2 — CID 91951350

IUPACN-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21
InChIInChI=1S/C24H32N6O2/c1-17-19(18(2)28(4)26-17)16-27(3)22(31)12-15-30-21-11-7-6-10-20(21)25-23(24(30)32)29-13-8-5-9-14-29/h6-7,10-11H,5,8-9,12-16H2,1-4H3
InChIKeyWGYUNECELRSWMB-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.79
Rot. Bonds6

About N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 91951350) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID91951350
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC NameN-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21
InChIInChI=1S/C24H32N6O2/c1-17-19(18(2)28(4)26-17)16-27(3)22(31)12-15-30-21-11-7-6-10-20(21)25-23(24(30)32)29-13-8-5-9-14-29/h6-7,10-11H,5,8-9,12-16H2,1-4H3
InChIKeyWGYUNECELRSWMB-UHFFFAOYSA-N
XLogP2.79
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 91951350) is N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is Cc1nn(C)c(C)c1CN(C)C(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21.
What is the InChIKey of N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is WGYUNECELRSWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-17-19(18(2)28(4)26-17)16-27(3)22(31)12-15-30-21-11-7-6-10-20(21)25-23(24(30)32)29-13-8-5-9-14-29/h6-7,10-11H,5,8-9,12-16H2,1-4H3.
What are the key properties of N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 436.56 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 91951350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).