1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone

C21H32FN3O — CID 163995903

IUPAC1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCC2CCC(c3ncc(F)cc3C)CC2)CC1
InChIInChI=1S/C21H32FN3O/c1-15-13-19(22)14-24-21(15)18-5-3-17(4-6-18)7-10-23-20-8-11-25(12-9-20)16(2)26/h13-14,17-18,20,23H,3-12H2,1-2H3
InChIKeyUERDGMIRODNQFW-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.79
Rot. Bonds5

About 1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone

1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone (PubChem CID 163995903) has the molecular formula C21H32FN3O and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone
PubChem CID163995903
Molecular FormulaC21H32FN3O
Molecular Weight361.51 g/mol
Exact Mass361.25
IUPAC Name1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCC2CCC(c3ncc(F)cc3C)CC2)CC1
InChIInChI=1S/C21H32FN3O/c1-15-13-19(22)14-24-21(15)18-5-3-17(4-6-18)7-10-23-20-8-11-25(12-9-20)16(2)26/h13-14,17-18,20,23H,3-12H2,1-2H3
InChIKeyUERDGMIRODNQFW-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone (CID 163995903) is 1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCCC2CCC(c3ncc(F)cc3C)CC2)CC1.
What is the InChIKey of 1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone?
The InChIKey is UERDGMIRODNQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O/c1-15-13-19(22)14-24-21(15)18-5-3-17(4-6-18)7-10-23-20-8-11-25(12-9-20)16(2)26/h13-14,17-18,20,23H,3-12H2,1-2H3.
What are the key properties of 1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone?
1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone has a molecular weight of 361.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(5-fluoro-3-methyl-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 163995903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).