N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide

C22H31FN4O — CID 45224423

IUPACN-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
SMILESCCCn1ncc(CN2CCCC(CCC(=O)Nc3ccccc3F)C2)c1C
InChIInChI=1S/C22H31FN4O/c1-3-12-27-17(2)19(14-24-27)16-26-13-6-7-18(15-26)10-11-22(28)25-21-9-5-4-8-20(21)23/h4-5,8-9,14,18H,3,6-7,10-13,15-16H2,1-2H3,(H,25,28)
InChIKeyKORLUOYBPWQXEV-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.37
Rot. Bonds8

About N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide

N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 45224423) has the molecular formula C22H31FN4O and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
PubChem CID45224423
Molecular FormulaC22H31FN4O
Molecular Weight386.52 g/mol
Exact Mass386.25
IUPAC NameN-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
SMILESCCCn1ncc(CN2CCCC(CCC(=O)Nc3ccccc3F)C2)c1C
InChIInChI=1S/C22H31FN4O/c1-3-12-27-17(2)19(14-24-27)16-26-13-6-7-18(15-26)10-11-22(28)25-21-9-5-4-8-20(21)23/h4-5,8-9,14,18H,3,6-7,10-13,15-16H2,1-2H3,(H,25,28)
InChIKeyKORLUOYBPWQXEV-UHFFFAOYSA-N
XLogP4.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42516110
N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
CID 45194818
N-(2-fluorophenyl)-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 42415624
N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 45187738
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 42358772
3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42307306
3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42195090
3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42288549
N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 45173449
N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 45205357
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(2-fluorophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110858575

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide (CID 45224423) is N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide is CCCn1ncc(CN2CCCC(CCC(=O)Nc3ccccc3F)C2)c1C.
What is the InChIKey of N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?
The InChIKey is KORLUOYBPWQXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O/c1-3-12-27-17(2)19(14-24-27)16-26-13-6-7-18(15-26)10-11-22(28)25-21-9-5-4-8-20(21)23/h4-5,8-9,14,18H,3,6-7,10-13,15-16H2,1-2H3,(H,25,28).
What are the key properties of N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?
N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 386.52 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45224423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).