1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one

C14H24F2N2O — CID 122545811

IUPAC1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one
SMILESCC[C@H]1CCCN(CCC(=O)N2CCC(F)(F)C2)C1
InChIInChI=1S/C14H24F2N2O/c1-2-12-4-3-7-17(10-12)8-5-13(19)18-9-6-14(15,16)11-18/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyYZUBHHHUMIAUCN-LBPRGKRZSA-N
MW274.35 g/mol
LogP2.37
Rot. Bonds4

About 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one

1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one (PubChem CID 122545811) has the molecular formula C14H24F2N2O and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one
PubChem CID122545811
Molecular FormulaC14H24F2N2O
Molecular Weight274.35 g/mol
Exact Mass274.19
IUPAC Name1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one
SMILESCC[C@H]1CCCN(CCC(=O)N2CCC(F)(F)C2)C1
InChIInChI=1S/C14H24F2N2O/c1-2-12-4-3-7-17(10-12)8-5-13(19)18-9-6-14(15,16)11-18/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyYZUBHHHUMIAUCN-LBPRGKRZSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one?
The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one (CID 122545811) is 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one is CC[C@H]1CCCN(CCC(=O)N2CCC(F)(F)C2)C1.
What is the InChIKey of 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one?
The InChIKey is YZUBHHHUMIAUCN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24F2N2O/c1-2-12-4-3-7-17(10-12)8-5-13(19)18-9-6-14(15,16)11-18/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one?
1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one has a molecular weight of 274.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-ethylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 122545811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).