(5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one

C19H24F2N4O — CID 16676698

IUPAC(5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one
SMILESCCCn1ncc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c1C
InChIInChI=1S/C19H24F2N4O/c1-3-6-25-12(2)14(11-23-25)10-22-17-4-5-18(26)24-19(17)13-7-15(20)9-16(21)8-13/h7-9,11,17,19,22H,3-6,10H2,1-2H3,(H,24,26)/t17-,19+/m1/s1
InChIKeyCWKGQDJRKHWXND-MJGOQNOKSA-N
MW362.42 g/mol
LogP2.99
Rot. Bonds6

About (5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one

(5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one (PubChem CID 16676698) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is (5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one
PubChem CID16676698
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Name(5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one
SMILESCCCn1ncc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c1C
InChIInChI=1S/C19H24F2N4O/c1-3-6-25-12(2)14(11-23-25)10-22-17-4-5-18(26)24-19(17)13-7-15(20)9-16(21)8-13/h7-9,11,17,19,22H,3-6,10H2,1-2H3,(H,24,26)/t17-,19+/m1/s1
InChIKeyCWKGQDJRKHWXND-MJGOQNOKSA-N
XLogP2.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one?
The IUPAC name of (5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one (CID 16676698) is (5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one.
What is the SMILES notation for (5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one?
The canonical SMILES for (5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one is CCCn1ncc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c1C.
What is the InChIKey of (5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one?
The InChIKey is CWKGQDJRKHWXND-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H24F2N4O/c1-3-6-25-12(2)14(11-23-25)10-22-17-4-5-18(26)24-19(17)13-7-15(20)9-16(21)8-13/h7-9,11,17,19,22H,3-6,10H2,1-2H3,(H,24,26)/t17-,19+/m1/s1.
What are the key properties of (5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one?
(5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one has a molecular weight of 362.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 16676698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).