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

C20H25FN4OS — CID 45194818

IUPACN-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
SMILESCSc1ncc(CN2CCCC(CCC(=O)Nc3ccccc3F)C2)cn1
InChIInChI=1S/C20H25FN4OS/c1-27-20-22-11-16(12-23-20)14-25-10-4-5-15(13-25)8-9-19(26)24-18-7-3-2-6-17(18)21/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3,(H,24,26)
InChIKeyHPFDAKBERARNDN-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.97
Rot. Bonds7

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

N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 45194818) has the molecular formula C20H25FN4OS and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
PubChem CID45194818
Molecular FormulaC20H25FN4OS
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC NameN-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
SMILESCSc1ncc(CN2CCCC(CCC(=O)Nc3ccccc3F)C2)cn1
InChIInChI=1S/C20H25FN4OS/c1-27-20-22-11-16(12-23-20)14-25-10-4-5-15(13-25)8-9-19(26)24-18-7-3-2-6-17(18)21/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3,(H,24,26)
InChIKeyHPFDAKBERARNDN-UHFFFAOYSA-N
XLogP3.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42307306
N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 45205357
N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 45173449
3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42195090
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-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 45224423
3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42288549
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 72886779
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]propanamide
CID 42117284

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide (CID 45194818) is N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide is CSc1ncc(CN2CCCC(CCC(=O)Nc3ccccc3F)C2)cn1.
What is the InChIKey of N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide?
The InChIKey is HPFDAKBERARNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4OS/c1-27-20-22-11-16(12-23-20)14-25-10-4-5-15(13-25)8-9-19(26)24-18-7-3-2-6-17(18)21/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3,(H,24,26).
What are the key properties of N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide?
N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 388.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45194818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).