N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C25H30N4O2 — CID 55845388

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)Cn3c(=O)cnc4ccccc43)cc2)C1
InChIInChI=1S/C25H30N4O2/c1-18-11-19(2)15-28(14-18)16-21-9-7-20(8-10-21)12-27-24(30)17-29-23-6-4-3-5-22(23)26-13-25(29)31/h3-10,13,18-19H,11-12,14-17H2,1-2H3,(H,27,30)
InChIKeyCAMXKWXKYKGTFU-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.19
Rot. Bonds6

About N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 55845388) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID55845388
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)Cn3c(=O)cnc4ccccc43)cc2)C1
InChIInChI=1S/C25H30N4O2/c1-18-11-19(2)15-28(14-18)16-21-9-7-20(8-10-21)12-27-24(30)17-29-23-6-4-3-5-22(23)26-13-25(29)31/h3-10,13,18-19H,11-12,14-17H2,1-2H3,(H,27,30)
InChIKeyCAMXKWXKYKGTFU-UHFFFAOYSA-N
XLogP3.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxoquinoxalin-1-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 27168668
N,N-dimethyl-4-[[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]methyl]benzamide
CID 134039211
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 27332914
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 8851893
2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 55737221
1-benzyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]thiourea
CID 18271624
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 60515754
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide
CID 55742680
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 52500436

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 55845388) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide is CC1CC(C)CN(Cc2ccc(CNC(=O)Cn3c(=O)cnc4ccccc43)cc2)C1.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is CAMXKWXKYKGTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-11-19(2)15-28(14-18)16-21-9-7-20(8-10-21)12-27-24(30)17-29-23-6-4-3-5-22(23)26-13-25(29)31/h3-10,13,18-19H,11-12,14-17H2,1-2H3,(H,27,30).
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 418.54 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 55845388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).