1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one

C20H35FN4O — CID 123623473

IUPAC1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESNC1C(C2CCCCC2)NCC(F)C1N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C20H35FN4O/c21-16-13-23-19(14-5-2-1-3-6-14)18(22)20(16)24-11-8-15(9-12-24)25-10-4-7-17(25)26/h14-16,18-20,23H,1-13,22H2
InChIKeyZLWNFSURIJFROD-UHFFFAOYSA-N
MW366.53 g/mol
LogP1.66
Rot. Bonds3

About 1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 123623473) has the molecular formula C20H35FN4O and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID123623473
Molecular FormulaC20H35FN4O
Molecular Weight366.53 g/mol
Exact Mass366.28
IUPAC Name1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESNC1C(C2CCCCC2)NCC(F)C1N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C20H35FN4O/c21-16-13-23-19(14-5-2-1-3-6-14)18(22)20(16)24-11-8-15(9-12-24)25-10-4-7-17(25)26/h14-16,18-20,23H,1-13,22H2
InChIKeyZLWNFSURIJFROD-UHFFFAOYSA-N
XLogP1.66
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one (CID 123623473) is 1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one is NC1C(C2CCCCC2)NCC(F)C1N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is ZLWNFSURIJFROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35FN4O/c21-16-13-23-19(14-5-2-1-3-6-14)18(22)20(16)24-11-8-15(9-12-24)25-10-4-7-17(25)26/h14-16,18-20,23H,1-13,22H2.
What are the key properties of 1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 366.53 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 123623473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).