[4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

C17H23F3N4O2 — CID 46993455

IUPAC[4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCC(n2cc(C3(O)CCCC3)nn2)CC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)15(7-8-15)14(25)23-9-3-12(4-10-23)24-11-13(21-22-24)16(26)5-1-2-6-16/h11-12,26H,1-10H2
InChIKeyHQQYRHWURSMDKH-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.55
Rot. Bonds3

About [4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

[4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 46993455) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is [4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID46993455
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name[4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCC(n2cc(C3(O)CCCC3)nn2)CC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)15(7-8-15)14(25)23-9-3-12(4-10-23)24-11-13(21-22-24)16(26)5-1-2-6-16/h11-12,26H,1-10H2
InChIKeyHQQYRHWURSMDKH-UHFFFAOYSA-N
XLogP2.55
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of [4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (CID 46993455) is [4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for [4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for [4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is O=C(N1CCC(n2cc(C3(O)CCCC3)nn2)CC1)C1(C(F)(F)F)CC1.
What is the InChIKey of [4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is HQQYRHWURSMDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c18-17(19,20)15(7-8-15)14(25)23-9-3-12(4-10-23)24-11-13(21-22-24)16(26)5-1-2-6-16/h11-12,26H,1-10H2.
What are the key properties of [4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
[4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 372.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1-hydroxycyclopentyl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 46993455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).