3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide

C26H29FN4O2 — CID 45186260

IUPAC3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCc1nc2ccc(C(=O)N3CCCC(CCC(=O)NCc4ccccc4F)C3)cc2nc1C
InChIInChI=1S/C26H29FN4O2/c1-17-18(2)30-24-14-20(10-11-23(24)29-17)26(33)31-13-5-6-19(16-31)9-12-25(32)28-15-21-7-3-4-8-22(21)27/h3-4,7-8,10-11,14,19H,5-6,9,12-13,15-16H2,1-2H3,(H,28,32)
InChIKeyWMOOVKMEVATLTD-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.33
Rot. Bonds6

About 3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide

3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 45186260) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID45186260
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCc1nc2ccc(C(=O)N3CCCC(CCC(=O)NCc4ccccc4F)C3)cc2nc1C
InChIInChI=1S/C26H29FN4O2/c1-17-18(2)30-24-14-20(10-11-23(24)29-17)26(33)31-13-5-6-19(16-31)9-12-25(32)28-15-21-7-3-4-8-22(21)27/h3-4,7-8,10-11,14,19H,5-6,9,12-13,15-16H2,1-2H3,(H,28,32)
InChIKeyWMOOVKMEVATLTD-UHFFFAOYSA-N
XLogP4.33
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 97275855
3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 24791743
N-[(2-fluorophenyl)methyl]-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 45197616
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 25452182
ethyl 3-[[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]propanoate
CID 25457189
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 42462767
N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 42415691
ethyl 4-[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26393783
N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45228960
N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
CID 45228791
7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 56878661
3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 53138155

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide (CID 45186260) is 3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide is Cc1nc2ccc(C(=O)N3CCCC(CCC(=O)NCc4ccccc4F)C3)cc2nc1C.
What is the InChIKey of 3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is WMOOVKMEVATLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-17-18(2)30-24-14-20(10-11-23(24)29-17)26(33)31-13-5-6-19(16-31)9-12-25(32)28-15-21-7-3-4-8-22(21)27/h3-4,7-8,10-11,14,19H,5-6,9,12-13,15-16H2,1-2H3,(H,28,32).
What are the key properties of 3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 448.54 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 45186260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).