N-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide

C14H24F3N3O2 — CID 111793424

IUPACN-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCC(N1CCN(C(=O)NC2CCC(O)CC2)CC1)C(F)(F)F
InChIInChI=1S/C14H24F3N3O2/c1-10(14(15,16)17)19-6-8-20(9-7-19)13(22)18-11-2-4-12(21)5-3-11/h10-12,21H,2-9H2,1H3,(H,18,22)
InChIKeyTYYTXXNZZGSVIC-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.57
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide

N-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (PubChem CID 111793424) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
PubChem CID111793424
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC NameN-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCC(N1CCN(C(=O)NC2CCC(O)CC2)CC1)C(F)(F)F
InChIInChI=1S/C14H24F3N3O2/c1-10(14(15,16)17)19-6-8-20(9-7-19)13(22)18-11-2-4-12(21)5-3-11/h10-12,21H,2-9H2,1H3,(H,18,22)
InChIKeyTYYTXXNZZGSVIC-UHFFFAOYSA-N
XLogP1.57
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (CID 111793424) is N-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is CC(N1CCN(C(=O)NC2CCC(O)CC2)CC1)C(F)(F)F.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The InChIKey is TYYTXXNZZGSVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-10(14(15,16)17)19-6-8-20(9-7-19)13(22)18-11-2-4-12(21)5-3-11/h10-12,21H,2-9H2,1H3,(H,18,22).
What are the key properties of N-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
N-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 111793424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).