N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride

C12H21ClF3N3O2 — CID 120813852

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)C1CCOC1
InChIInChI=1S/C12H20F3N3O2.ClH/c13-12(14,15)10(18-4-2-16-3-5-18)7-17-11(19)9-1-6-20-8-9;/h9-10,16H,1-8H2,(H,17,19);1H
InChIKeyUPNFBPGQTUSZOK-UHFFFAOYSA-N
MW331.77 g/mol
LogP0.40
Rot. Bonds4

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride (PubChem CID 120813852) has the molecular formula C12H21ClF3N3O2 and a molecular weight of 331.77 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride
PubChem CID120813852
Molecular FormulaC12H21ClF3N3O2
Molecular Weight331.77 g/mol
Exact Mass331.13
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)C1CCOC1
InChIInChI=1S/C12H20F3N3O2.ClH/c13-12(14,15)10(18-4-2-16-3-5-18)7-17-11(19)9-1-6-20-8-9;/h9-10,16H,1-8H2,(H,17,19);1H
InChIKeyUPNFBPGQTUSZOK-UHFFFAOYSA-N
XLogP0.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride 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 N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride (CID 120813852) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride is Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)C1CCOC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride?
The InChIKey is UPNFBPGQTUSZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2.ClH/c13-12(14,15)10(18-4-2-16-3-5-18)7-17-11(19)9-1-6-20-8-9;/h9-10,16H,1-8H2,(H,17,19);1H.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride has a molecular weight of 331.77 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120813852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).