4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one

C19H27ClFN3O — CID 153338596

IUPAC4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one
SMILESCC1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCNC(=O)C1
InChIInChI=1S/C19H27ClFN3O/c1-19(7-9-22-17(25)11-19)24-8-6-13-2-4-14(5-3-13)18-16(20)10-15(21)12-23-18/h10,12-14,24H,2-9,11H2,1H3,(H,22,25)
InChIKeyFZZVFVXRXKNWHF-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.80
Rot. Bonds5

About 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one

4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one (PubChem CID 153338596) has the molecular formula C19H27ClFN3O and a molecular weight of 367.90 g/mol. Its IUPAC name is 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one
PubChem CID153338596
Molecular FormulaC19H27ClFN3O
Molecular Weight367.90 g/mol
Exact Mass367.18
IUPAC Name4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one
SMILESCC1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCNC(=O)C1
InChIInChI=1S/C19H27ClFN3O/c1-19(7-9-22-17(25)11-19)24-8-6-13-2-4-14(5-3-13)18-16(20)10-15(21)12-23-18/h10,12-14,24H,2-9,11H2,1H3,(H,22,25)
InChIKeyFZZVFVXRXKNWHF-UHFFFAOYSA-N
XLogP3.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one?
The IUPAC name of 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one (CID 153338596) is 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one.
What is the SMILES notation for 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one?
The canonical SMILES for 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one is CC1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCNC(=O)C1.
What is the InChIKey of 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one?
The InChIKey is FZZVFVXRXKNWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClFN3O/c1-19(7-9-22-17(25)11-19)24-8-6-13-2-4-14(5-3-13)18-16(20)10-15(21)12-23-18/h10,12-14,24H,2-9,11H2,1H3,(H,22,25).
What are the key properties of 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one?
4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one has a molecular weight of 367.90 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one is sourced from PubChem (CID 153338596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).