N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide

C14H24F3N3O2 — CID 75507571

IUPACN-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O2/c15-14(16,17)12(21)10-19-6-8-20(9-7-19)13(22)18-11-4-2-1-3-5-11/h11-12,21H,1-10H2,(H,18,22)
InChIKeyYWMGOFAVHWXDMO-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.57
Rot. Bonds3

About N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide

N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide (PubChem CID 75507571) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide
PubChem CID75507571
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC NameN-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O2/c15-14(16,17)12(21)10-19-6-8-20(9-7-19)13(22)18-11-4-2-1-3-5-11/h11-12,21H,1-10H2,(H,18,22)
InChIKeyYWMGOFAVHWXDMO-UHFFFAOYSA-N
XLogP1.57
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide (CID 75507571) is N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide?
The InChIKey is YWMGOFAVHWXDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c15-14(16,17)12(21)10-19-6-8-20(9-7-19)13(22)18-11-4-2-1-3-5-11/h11-12,21H,1-10H2,(H,18,22).
What are the key properties of N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 75507571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).