2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide

C19H26F3N5O2 — CID 42301136

IUPAC2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)n1
InChIInChI=1S/C19H26F3N5O2/c1-12-10-15(19(20,21)22)26-16(25-12)6-7-23-17(28)11-14-18(29)24-8-9-27(14)13-4-2-3-5-13/h10,13-14H,2-9,11H2,1H3,(H,23,28)(H,24,29)/t14-/m0/s1
InChIKeyJJLIIDLDIDSEJP-AWEZNQCLSA-N
MW413.44 g/mol
LogP1.60
Rot. Bonds6

About 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide

2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (PubChem CID 42301136) has the molecular formula C19H26F3N5O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
PubChem CID42301136
Molecular FormulaC19H26F3N5O2
Molecular Weight413.44 g/mol
Exact Mass413.20
IUPAC Name2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)n1
InChIInChI=1S/C19H26F3N5O2/c1-12-10-15(19(20,21)22)26-16(25-12)6-7-23-17(28)11-14-18(29)24-8-9-27(14)13-4-2-3-5-13/h10,13-14H,2-9,11H2,1H3,(H,23,28)(H,24,29)/t14-/m0/s1
InChIKeyJJLIIDLDIDSEJP-AWEZNQCLSA-N
XLogP1.60
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The IUPAC name of 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (CID 42301136) is 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)n1.
What is the InChIKey of 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The InChIKey is JJLIIDLDIDSEJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26F3N5O2/c1-12-10-15(19(20,21)22)26-16(25-12)6-7-23-17(28)11-14-18(29)24-8-9-27(14)13-4-2-3-5-13/h10,13-14H,2-9,11H2,1H3,(H,23,28)(H,24,29)/t14-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide has a molecular weight of 413.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 42301136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).