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

C24H43FN4O — CID 134340035

IUPAC1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESNC1CN(C2CCCCCCCC2)CC(F)C1N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C24H43FN4O/c25-21-17-29(20-8-5-3-1-2-4-6-9-20)18-22(26)24(21)27-14-11-19(12-15-27)16-28-13-7-10-23(28)30/h19-22,24H,1-18,26H2
InChIKeyBSWBEFRKFBTBFS-UHFFFAOYSA-N
MW422.63 g/mol
LogP3.17
Rot. Bonds4

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

1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 134340035) has the molecular formula C24H43FN4O and a molecular weight of 422.63 g/mol. Its IUPAC name is 1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID134340035
Molecular FormulaC24H43FN4O
Molecular Weight422.63 g/mol
Exact Mass422.34
IUPAC Name1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESNC1CN(C2CCCCCCCC2)CC(F)C1N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C24H43FN4O/c25-21-17-29(20-8-5-3-1-2-4-6-9-20)18-22(26)24(21)27-14-11-19(12-15-27)16-28-13-7-10-23(28)30/h19-22,24H,1-18,26H2
InChIKeyBSWBEFRKFBTBFS-UHFFFAOYSA-N
XLogP3.17
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.63
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one (CID 134340035) is 1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one is NC1CN(C2CCCCCCCC2)CC(F)C1N1CCC(CN2CCCC2=O)CC1.
What is the InChIKey of 1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is BSWBEFRKFBTBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43FN4O/c25-21-17-29(20-8-5-3-1-2-4-6-9-20)18-22(26)24(21)27-14-11-19(12-15-27)16-28-13-7-10-23(28)30/h19-22,24H,1-18,26H2.
What are the key properties of 1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 422.63 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 134340035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).