2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide

C23H32FN5O — CID 95853159

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide
SMILESCc1nc(C)n(CC(=O)NC2CCN(CC3(c4ccccc4F)CCCC3)CC2)n1
InChIInChI=1S/C23H32FN5O/c1-17-25-18(2)29(27-17)15-22(30)26-19-9-13-28(14-10-19)16-23(11-5-6-12-23)20-7-3-4-8-21(20)24/h3-4,7-8,19H,5-6,9-16H2,1-2H3,(H,26,30)
InChIKeyWTLUMOZTILHTJJ-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.13
Rot. Bonds6

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide (PubChem CID 95853159) has the molecular formula C23H32FN5O and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide
PubChem CID95853159
Molecular FormulaC23H32FN5O
Molecular Weight413.54 g/mol
Exact Mass413.26
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide
SMILESCc1nc(C)n(CC(=O)NC2CCN(CC3(c4ccccc4F)CCCC3)CC2)n1
InChIInChI=1S/C23H32FN5O/c1-17-25-18(2)29(27-17)15-22(30)26-19-9-13-28(14-10-19)16-23(11-5-6-12-23)20-7-3-4-8-21(20)24/h3-4,7-8,19H,5-6,9-16H2,1-2H3,(H,26,30)
InChIKeyWTLUMOZTILHTJJ-UHFFFAOYSA-N
XLogP3.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide
CID 92572443
2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide
CID 95853180
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56868307
N-[1-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 95853165
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide
CID 175641474
[2-(cyclopentylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661548
2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide
CID 92595353
[2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 23932612
N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-pyridin-2-ylacetamide
CID 92577364
N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 94815011
N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110437552
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 95153079

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide (CID 95853159) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide is Cc1nc(C)n(CC(=O)NC2CCN(CC3(c4ccccc4F)CCCC3)CC2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is WTLUMOZTILHTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O/c1-17-25-18(2)29(27-17)15-22(30)26-19-9-13-28(14-10-19)16-23(11-5-6-12-23)20-7-3-4-8-21(20)24/h3-4,7-8,19H,5-6,9-16H2,1-2H3,(H,26,30).
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 413.54 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 95853159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).