[2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone

C21H34F2N4O — CID 123692538

IUPAC[2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(F)(F)C1)N1CCCC1C1CCN(C2CC3(CCNC3)C2)CC1
InChIInChI=1S/C21H34F2N4O/c22-21(23)6-11-26(15-21)19(28)27-8-1-2-18(27)16-3-9-25(10-4-16)17-12-20(13-17)5-7-24-14-20/h16-18,24H,1-15H2
InChIKeySQNSXRRPJPQYOT-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.77
Rot. Bonds2

About [2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone

[2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 123692538) has the molecular formula C21H34F2N4O and a molecular weight of 396.53 g/mol. Its IUPAC name is [2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID123692538
Molecular FormulaC21H34F2N4O
Molecular Weight396.53 g/mol
Exact Mass396.27
IUPAC Name[2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(F)(F)C1)N1CCCC1C1CCN(C2CC3(CCNC3)C2)CC1
InChIInChI=1S/C21H34F2N4O/c22-21(23)6-11-26(15-21)19(28)27-8-1-2-18(27)16-3-9-25(10-4-16)17-12-20(13-17)5-7-24-14-20/h16-18,24H,1-15H2
InChIKeySQNSXRRPJPQYOT-UHFFFAOYSA-N
XLogP2.77
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of [2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone (CID 123692538) is [2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone is O=C(N1CCC(F)(F)C1)N1CCCC1C1CCN(C2CC3(CCNC3)C2)CC1.
What is the InChIKey of [2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is SQNSXRRPJPQYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34F2N4O/c22-21(23)6-11-26(15-21)19(28)27-8-1-2-18(27)16-3-9-25(10-4-16)17-12-20(13-17)5-7-24-14-20/h16-18,24H,1-15H2.
What are the key properties of [2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
[2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 396.53 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]pyrrolidin-1-yl]-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 123692538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).