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

C20H23ClN4O — CID 163317679

IUPAC(2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3ccccc3Cl)C1)CC2
InChIInChI=1S/C20H23ClN4O/c1-24(2)19-22-12-14-8-10-20(17(14)23-19)9-5-11-25(13-20)18(26)15-6-3-4-7-16(15)21/h3-4,6-7,12H,5,8-11,13H2,1-2H3
InChIKeyYOYQKXACJLAMAG-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.32
Rot. Bonds2

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

(2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone (PubChem CID 163317679) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
PubChem CID163317679
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name(2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3ccccc3Cl)C1)CC2
InChIInChI=1S/C20H23ClN4O/c1-24(2)19-22-12-14-8-10-20(17(14)23-19)9-5-11-25(13-20)18(26)15-6-3-4-7-16(15)21/h3-4,6-7,12H,5,8-11,13H2,1-2H3
InChIKeyYOYQKXACJLAMAG-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone (CID 163317679) is (2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3ccccc3Cl)C1)CC2.
What is the InChIKey of (2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone?
The InChIKey is YOYQKXACJLAMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-24(2)19-22-12-14-8-10-20(17(14)23-19)9-5-11-25(13-20)18(26)15-6-3-4-7-16(15)21/h3-4,6-7,12H,5,8-11,13H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone?
(2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone has a molecular weight of 370.88 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 163317679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).