2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

C20H21F3N4O — CID 135100517

IUPAC2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)Nc3cccc(C(F)(F)F)c3)C1)CC2
InChIInChI=1S/C20H21F3N4O/c1-13-24-11-14-6-8-19(17(14)25-13)7-3-9-27(12-19)18(28)26-16-5-2-4-15(10-16)20(21,22)23/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,26,28)
InChIKeyVLZRLWSRIHIHRY-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.32
Rot. Bonds1

About 2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide (PubChem CID 135100517) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
PubChem CID135100517
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)Nc3cccc(C(F)(F)F)c3)C1)CC2
InChIInChI=1S/C20H21F3N4O/c1-13-24-11-14-6-8-19(17(14)25-13)7-3-9-27(12-19)18(28)26-16-5-2-4-15(10-16)20(21,22)23/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,26,28)
InChIKeyVLZRLWSRIHIHRY-UHFFFAOYSA-N
XLogP4.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135118382
(4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide
CID 135102269
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 135088689
(6-amino-3-pyridinyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163309459
(2-methoxy-4-pyridinyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163315799
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 163314951
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 163305444
3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135094831
1,3-benzothiazol-6-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135108669
[2-(1-methylimidazol-2-yl)phenyl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135115875
2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 163309039

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide (CID 135100517) is 2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide is Cc1ncc2c(n1)C1(CCCN(C(=O)Nc3cccc(C(F)(F)F)c3)C1)CC2.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide?
The InChIKey is VLZRLWSRIHIHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-13-24-11-14-6-8-19(17(14)25-13)7-3-9-27(12-19)18(28)26-16-5-2-4-15(10-16)20(21,22)23/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,26,28).
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide?
2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide is sourced from PubChem (CID 135100517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).