1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone

C18H26N4O2 — CID 163312732

IUPAC1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)CN3CCOCC3)C1)CC2
InChIInChI=1S/C18H26N4O2/c1-14-19-11-15-3-5-18(17(15)20-14)4-2-6-22(13-18)16(23)12-21-7-9-24-10-8-21/h11H,2-10,12-13H2,1H3
InChIKeyMYOAOKRLMRWSPY-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.92
Rot. Bonds2

About 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone

1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone (PubChem CID 163312732) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone
PubChem CID163312732
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)CN3CCOCC3)C1)CC2
InChIInChI=1S/C18H26N4O2/c1-14-19-11-15-3-5-18(17(15)20-14)4-2-6-22(13-18)16(23)12-21-7-9-24-10-8-21/h11H,2-10,12-13H2,1H3
InChIKeyMYOAOKRLMRWSPY-UHFFFAOYSA-N
XLogP0.92
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone with MolForge

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Related Compounds

2-ethylsulfanyl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135098088
2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 163309039
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135111394
2-(2-cyclopropylbenzimidazol-1-yl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135104687
cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163313837
(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135118382
2-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164698243
1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 135120730
(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-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 163304981
[5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163312518

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone (CID 163312732) is 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone is Cc1ncc2c(n1)C1(CCCN(C(=O)CN3CCOCC3)C1)CC2.
What is the InChIKey of 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone?
The InChIKey is MYOAOKRLMRWSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14-19-11-15-3-5-18(17(15)20-14)4-2-6-22(13-18)16(23)12-21-7-9-24-10-8-21/h11H,2-10,12-13H2,1H3.
What are the key properties of 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone?
1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone has a molecular weight of 330.43 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 163312732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).