[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone

C14H26FN3O — CID 146478729

IUPAC[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone
SMILESCC(C)N1[C@H](C)CN(C(=O)N2CCC(F)C2)C[C@@H]1C
InChIInChI=1S/C14H26FN3O/c1-10(2)18-11(3)7-17(8-12(18)4)14(19)16-6-5-13(15)9-16/h10-13H,5-9H2,1-4H3/t11-,12+,13?
InChIKeyVQVZERKSGFSRIH-FUNVUKJBSA-N
MW271.38 g/mol
LogP1.95
Rot. Bonds1

About [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone

[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone (PubChem CID 146478729) has the molecular formula C14H26FN3O and a molecular weight of 271.38 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone
PubChem CID146478729
Molecular FormulaC14H26FN3O
Molecular Weight271.38 g/mol
Exact Mass271.21
IUPAC Name[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone
SMILESCC(C)N1[C@H](C)CN(C(=O)N2CCC(F)C2)C[C@@H]1C
InChIInChI=1S/C14H26FN3O/c1-10(2)18-11(3)7-17(8-12(18)4)14(19)16-6-5-13(15)9-16/h10-13H,5-9H2,1-4H3/t11-,12+,13?
InChIKeyVQVZERKSGFSRIH-FUNVUKJBSA-N
XLogP1.95
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-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 [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The IUPAC name of [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone (CID 146478729) is [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone is CC(C)N1[C@H](C)CN(C(=O)N2CCC(F)C2)C[C@@H]1C.
What is the InChIKey of [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The InChIKey is VQVZERKSGFSRIH-FUNVUKJBSA-N. The full InChI is InChI=1S/C14H26FN3O/c1-10(2)18-11(3)7-17(8-12(18)4)14(19)16-6-5-13(15)9-16/h10-13H,5-9H2,1-4H3/t11-,12+,13?.
What are the key properties of [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone?
[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone has a molecular weight of 271.38 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-(3-fluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 146478729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).