N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide

C24H34F3N3O2 — CID 24781375

IUPACN-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1)C1CCCO1
InChIInChI=1S/C24H34F3N3O2/c25-24(26,27)19-3-1-4-21(17-19)30-14-12-29(13-15-30)11-10-18-6-8-20(9-7-18)28-23(31)22-5-2-16-32-22/h1,3-4,17-18,20,22H,2,5-16H2,(H,28,31)
InChIKeyPNFBQFGHNTXHPZ-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.07
Rot. Bonds6

About N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide

N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide (PubChem CID 24781375) has the molecular formula C24H34F3N3O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide
PubChem CID24781375
Molecular FormulaC24H34F3N3O2
Molecular Weight453.55 g/mol
Exact Mass453.26
IUPAC NameN-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1)C1CCCO1
InChIInChI=1S/C24H34F3N3O2/c25-24(26,27)19-3-1-4-21(17-19)30-14-12-29(13-15-30)11-10-18-6-8-20(9-7-18)28-23(31)22-5-2-16-32-22/h1,3-4,17-18,20,22H,2,5-16H2,(H,28,31)
InChIKeyPNFBQFGHNTXHPZ-UHFFFAOYSA-N
XLogP4.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide (CID 24781375) is N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide is O=C(NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1)C1CCCO1.
What is the InChIKey of N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide?
The InChIKey is PNFBQFGHNTXHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N3O2/c25-24(26,27)19-3-1-4-21(17-19)30-14-12-29(13-15-30)11-10-18-6-8-20(9-7-18)28-23(31)22-5-2-16-32-22/h1,3-4,17-18,20,22H,2,5-16H2,(H,28,31).
What are the key properties of N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide?
N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide is sourced from PubChem (CID 24781375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).