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

C19H26F3N5O2 — CID 45239123

IUPAC2-(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)CC2C(=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)
InChIKeyJJLIIDLDIDSEJP-UHFFFAOYSA-N
MW413.44 g/mol
LogP1.60
Rot. Bonds6

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

2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (PubChem CID 45239123) has the molecular formula C19H26F3N5O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
PubChem CID45239123
Molecular FormulaC19H26F3N5O2
Molecular Weight413.44 g/mol
Exact Mass413.20
IUPAC Name2-(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)CC2C(=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)
InChIKeyJJLIIDLDIDSEJP-UHFFFAOYSA-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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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
CID 666064
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
6-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4,9,9a-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 135417051
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid sec-butylamide
CID 645777
4-[(4,6-Dimethyl-2-pyrimidinyl)amino]-1-methyl-2-pyrrolidinone
CID 45182021
N-cyclopropyl-4-(6-methyl-2-propyl-4-pyrimidinyl)-2-piperazinecarboxamide
CID 56903950
N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56918316
5-((4,6-Dimethylpyrimidin-2-yl)amino)-1-methylpiperidin-2-one
CID 64668602
(4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethyl-L-prolinamide
CID 70757415
N-{2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 71797046

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (CID 45239123) is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(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)CC2C(=O)NCCN2C2CCCC2)n1.
What is the InChIKey of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The InChIKey is JJLIIDLDIDSEJP-UHFFFAOYSA-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).
What are the key properties of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
2-(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-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 45239123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).