2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide

C15H22ClFN4O — CID 136513043

IUPAC2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(Nc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C15H22ClFN4O/c1-2-5-18-14(22)10-21-6-3-12(4-7-21)20-15-13(17)8-11(16)9-19-15/h8-9,12H,2-7,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyFOQJLYFYYHKLSB-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.28
Rot. Bonds6

About 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide

2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide (PubChem CID 136513043) has the molecular formula C15H22ClFN4O and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide
PubChem CID136513043
Molecular FormulaC15H22ClFN4O
Molecular Weight328.82 g/mol
Exact Mass328.15
IUPAC Name2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(Nc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C15H22ClFN4O/c1-2-5-18-14(22)10-21-6-3-12(4-7-21)20-15-13(17)8-11(16)9-19-15/h8-9,12H,2-7,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyFOQJLYFYYHKLSB-UHFFFAOYSA-N
XLogP2.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide
CID 60567800
5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 79728230
5-chloro-N-cyclobutyl-3-fluoropyridin-2-amine
CID 79727841
2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide
CID 133291121
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
5-chloro-3-fluoro-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 79728337
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303
5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine
CID 114539767
5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 79728769
5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine
CID 146128765
1-(4-chlorophenyl)-2,5-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]pyrrole-3-carboxamide
CID 52711859
5-fluoro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 39144539

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide (CID 136513043) is 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC(Nc2ncc(Cl)cc2F)CC1.
What is the InChIKey of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide?
The InChIKey is FOQJLYFYYHKLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN4O/c1-2-5-18-14(22)10-21-6-3-12(4-7-21)20-15-13(17)8-11(16)9-19-15/h8-9,12H,2-7,10H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide?
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide has a molecular weight of 328.82 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 136513043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).