4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide

C18H28F3N5O2 — CID 55792889

IUPAC4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide
SMILESCn1ccnc1C(O)(CCNC(=O)N1CCN(C2CCCC2)CC1)C(F)(F)F
InChIInChI=1S/C18H28F3N5O2/c1-24-9-8-22-15(24)17(28,18(19,20)21)6-7-23-16(27)26-12-10-25(11-13-26)14-4-2-3-5-14/h8-9,14,28H,2-7,10-13H2,1H3,(H,23,27)
InChIKeyHABFPELNRSDWNL-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.83
Rot. Bonds5

About 4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide

4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide (PubChem CID 55792889) has the molecular formula C18H28F3N5O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide
PubChem CID55792889
Molecular FormulaC18H28F3N5O2
Molecular Weight403.45 g/mol
Exact Mass403.22
IUPAC Name4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide
SMILESCn1ccnc1C(O)(CCNC(=O)N1CCN(C2CCCC2)CC1)C(F)(F)F
InChIInChI=1S/C18H28F3N5O2/c1-24-9-8-22-15(24)17(28,18(19,20)21)6-7-23-16(27)26-12-10-25(11-13-26)14-4-2-3-5-14/h8-9,14,28H,2-7,10-13H2,1H3,(H,23,27)
InChIKeyHABFPELNRSDWNL-UHFFFAOYSA-N
XLogP1.83
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide (CID 55792889) is 4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide is Cn1ccnc1C(O)(CCNC(=O)N1CCN(C2CCCC2)CC1)C(F)(F)F.
What is the InChIKey of 4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide?
The InChIKey is HABFPELNRSDWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3N5O2/c1-24-9-8-22-15(24)17(28,18(19,20)21)6-7-23-16(27)26-12-10-25(11-13-26)14-4-2-3-5-14/h8-9,14,28H,2-7,10-13H2,1H3,(H,23,27).
What are the key properties of 4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide?
4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperazine-1-carboxamide is sourced from PubChem (CID 55792889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).