3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one

C15H21ClFN3O2 — CID 171560660

IUPAC3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one
SMILESCC1CN(C(=O)CCCN)CCC1(F)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C15H21ClFN3O2/c1-10-9-20(13(21)3-2-5-18)6-4-15(10,17)12-7-11(16)8-19-14(12)22/h7-8,10H,2-6,9,18H2,1H3,(H,19,22)
InChIKeyXZWBHQQCYIHSGB-UHFFFAOYSA-N
MW329.80 g/mol
LogP1.80
Rot. Bonds4

About 3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one

3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one (PubChem CID 171560660) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is 3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one
PubChem CID171560660
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC Name3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one
SMILESCC1CN(C(=O)CCCN)CCC1(F)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C15H21ClFN3O2/c1-10-9-20(13(21)3-2-5-18)6-4-15(10,17)12-7-11(16)8-19-14(12)22/h7-8,10H,2-6,9,18H2,1H3,(H,19,22)
InChIKeyXZWBHQQCYIHSGB-UHFFFAOYSA-N
XLogP1.80
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one?
The IUPAC name of 3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one (CID 171560660) is 3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one?
The canonical SMILES for 3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one is CC1CN(C(=O)CCCN)CCC1(F)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one?
The InChIKey is XZWBHQQCYIHSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3O2/c1-10-9-20(13(21)3-2-5-18)6-4-15(10,17)12-7-11(16)8-19-14(12)22/h7-8,10H,2-6,9,18H2,1H3,(H,19,22).
What are the key properties of 3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one?
3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one has a molecular weight of 329.80 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-aminobutanoyl)-4-fluoro-3-methylpiperidin-4-yl]-5-chloro-1H-pyridin-2-one is sourced from PubChem (CID 171560660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).