2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide

C20H22FN5O — CID 83278157

IUPAC2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide
SMILESCc1cccc2nnc(N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)n12
InChIInChI=1S/C20H22FN5O/c1-14-3-2-4-18-23-24-20(26(14)18)25-11-9-17(10-12-25)22-19(27)13-15-5-7-16(21)8-6-15/h2-8,17H,9-13H2,1H3,(H,22,27)
InChIKeyNGMDUXCKJWKGCD-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.50
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide

2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide (PubChem CID 83278157) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide
PubChem CID83278157
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide
SMILESCc1cccc2nnc(N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)n12
InChIInChI=1S/C20H22FN5O/c1-14-3-2-4-18-23-24-20(26(14)18)25-11-9-17(10-12-25)22-19(27)13-15-5-7-16(21)8-6-15/h2-8,17H,9-13H2,1H3,(H,22,27)
InChIKeyNGMDUXCKJWKGCD-UHFFFAOYSA-N
XLogP2.50
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 53203538
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 53203526
N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 143745573
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 63626827
N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 154831123
2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide
CID 58631035
2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
CID 75528428
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549660
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820768
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide (CID 83278157) is 2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide is Cc1cccc2nnc(N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)n12.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide?
The InChIKey is NGMDUXCKJWKGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14-3-2-4-18-23-24-20(26(14)18)25-11-9-17(10-12-25)22-19(27)13-15-5-7-16(21)8-6-15/h2-8,17H,9-13H2,1H3,(H,22,27).
What are the key properties of 2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide?
2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 83278157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).