[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone

C15H28FN3O — CID 72793669

IUPAC[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone
SMILESCCN(CC)CCN1CCCC1C(=O)N1CCC(F)C1
InChIInChI=1S/C15H28FN3O/c1-3-17(4-2)10-11-18-8-5-6-14(18)15(20)19-9-7-13(16)12-19/h13-14H,3-12H2,1-2H3
InChIKeySAQIXDHLXQQSBK-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.36
Rot. Bonds6

About [1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone

[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone (PubChem CID 72793669) has the molecular formula C15H28FN3O and a molecular weight of 285.41 g/mol. Its IUPAC name is [1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone
PubChem CID72793669
Molecular FormulaC15H28FN3O
Molecular Weight285.41 g/mol
Exact Mass285.22
IUPAC Name[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone
SMILESCCN(CC)CCN1CCCC1C(=O)N1CCC(F)C1
InChIInChI=1S/C15H28FN3O/c1-3-17(4-2)10-11-18-8-5-6-14(18)15(20)19-9-7-13(16)12-19/h13-14H,3-12H2,1-2H3
InChIKeySAQIXDHLXQQSBK-UHFFFAOYSA-N
XLogP1.36
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The IUPAC name of [1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone (CID 72793669) is [1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone is CCN(CC)CCN1CCCC1C(=O)N1CCC(F)C1.
What is the InChIKey of [1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The InChIKey is SAQIXDHLXQQSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3O/c1-3-17(4-2)10-11-18-8-5-6-14(18)15(20)19-9-7-13(16)12-19/h13-14H,3-12H2,1-2H3.
What are the key properties of [1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone?
[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone has a molecular weight of 285.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 72793669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).