1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one

C22H27FN4O — CID 135112693

IUPAC1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)CCc3ccccc3F)C1)CC2
InChIInChI=1S/C22H27FN4O/c1-26(2)21-24-14-17-10-12-22(20(17)25-21)11-5-13-27(15-22)19(28)9-8-16-6-3-4-7-18(16)23/h3-4,6-7,14H,5,8-13,15H2,1-2H3
InChIKeyDMTXPOPXHBYQAH-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.12
Rot. Bonds4

About 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one (PubChem CID 135112693) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one
PubChem CID135112693
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)CCc3ccccc3F)C1)CC2
InChIInChI=1S/C22H27FN4O/c1-26(2)21-24-14-17-10-12-22(20(17)25-21)11-5-13-27(15-22)19(28)9-8-16-6-3-4-7-18(16)23/h3-4,6-7,14H,5,8-13,15H2,1-2H3
InChIKeyDMTXPOPXHBYQAH-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 135108398
3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one
CID 163316647
2-(4-chlorophenoxy)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 135101439
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
N-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]acetamide
CID 135111986
(2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 163317679
1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(3-methoxy-4-methylphenyl)propan-1-one
CID 135089416
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone
CID 163304934
3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one
CID 135089097
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(hydroxymethyl)cyclopropyl]methanone
CID 164698444
1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone
CID 163318342
(4-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 135090739

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one (CID 135112693) is 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)CCc3ccccc3F)C1)CC2.
What is the InChIKey of 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one?
The InChIKey is DMTXPOPXHBYQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-26(2)21-24-14-17-10-12-22(20(17)25-21)11-5-13-27(15-22)19(28)9-8-16-6-3-4-7-18(16)23/h3-4,6-7,14H,5,8-13,15H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one?
1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one has a molecular weight of 382.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 135112693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).