1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride

C15H24ClF2N3O2 — CID 120954971

IUPAC1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride
SMILESCl.O=C(C1CC(F)(F)CN1)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C15H23F2N3O2.ClH/c16-15(17)9-12(18-10-15)14(22)19-7-4-11(5-8-19)20-6-2-1-3-13(20)21;/h11-12,18H,1-10H2;1H
InChIKeyMEHXYHFHEOBHJV-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.41
Rot. Bonds2

About 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride

1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride (PubChem CID 120954971) has the molecular formula C15H24ClF2N3O2 and a molecular weight of 351.83 g/mol. Its IUPAC name is 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride
PubChem CID120954971
Molecular FormulaC15H24ClF2N3O2
Molecular Weight351.83 g/mol
Exact Mass351.15
IUPAC Name1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride
SMILESCl.O=C(C1CC(F)(F)CN1)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C15H23F2N3O2.ClH/c16-15(17)9-12(18-10-15)14(22)19-7-4-11(5-8-19)20-6-2-1-3-13(20)21;/h11-12,18H,1-10H2;1H
InChIKeyMEHXYHFHEOBHJV-UHFFFAOYSA-N
XLogP1.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride?
The IUPAC name of 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride (CID 120954971) is 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride?
The canonical SMILES for 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride is Cl.O=C(C1CC(F)(F)CN1)N1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride?
The InChIKey is MEHXYHFHEOBHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2.ClH/c16-15(17)9-12(18-10-15)14(22)19-7-4-11(5-8-19)20-6-2-1-3-13(20)21;/h11-12,18H,1-10H2;1H.
What are the key properties of 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride?
1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one;hydrochloride is sourced from PubChem (CID 120954971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).