(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

C21H25N3O — CID 135118382

IUPAC(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
SMILESCCc1ccccc1C(=O)N1CCCC2(CCc3cnc(C)nc32)C1
InChIInChI=1S/C21H25N3O/c1-3-16-7-4-5-8-18(16)20(25)24-12-6-10-21(14-24)11-9-17-13-22-15(2)23-19(17)21/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3
InChIKeyZNQWWFBBPWSRNX-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.47
Rot. Bonds2

About (2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (PubChem CID 135118382) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
PubChem CID135118382
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
SMILESCCc1ccccc1C(=O)N1CCCC2(CCc3cnc(C)nc32)C1
InChIInChI=1S/C21H25N3O/c1-3-16-7-4-5-8-18(16)20(25)24-12-6-10-21(14-24)11-9-17-13-22-15(2)23-19(17)21/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3
InChIKeyZNQWWFBBPWSRNX-UHFFFAOYSA-N
XLogP3.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-methylimidazol-2-yl)phenyl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135115875
2-ethylsulfanyl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135098088
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135116258
(6-amino-3-pyridinyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163309459
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 135088689
5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one
CID 135103992
cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163313837
3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)benzonitrile
CID 163311891
3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135094831
(4-chloro-1-methylpyrazol-3-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163314676
2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 163309039
2-(2-cyclopropylbenzimidazol-1-yl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135104687

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The IUPAC name of (2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (CID 135118382) is (2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The canonical SMILES for (2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is CCc1ccccc1C(=O)N1CCCC2(CCc3cnc(C)nc32)C1.
What is the InChIKey of (2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The InChIKey is ZNQWWFBBPWSRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-16-7-4-5-8-18(16)20(25)24-12-6-10-21(14-24)11-9-17-13-22-15(2)23-19(17)21/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3.
What are the key properties of (2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 135118382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).