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

C20H30N4O — CID 135093830

IUPAC2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)CC3CCCC3)C1)CC2
InChIInChI=1S/C20H30N4O/c1-23(2)19-21-13-16-8-10-20(18(16)22-19)9-5-11-24(14-20)17(25)12-15-6-3-4-7-15/h13,15H,3-12,14H2,1-2H3
InChIKeyBRCPPCHGPYFALM-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.93
Rot. Bonds3

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

2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone (PubChem CID 135093830) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
PubChem CID135093830
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)CC3CCCC3)C1)CC2
InChIInChI=1S/C20H30N4O/c1-23(2)19-21-13-16-8-10-20(18(16)22-19)9-5-11-24(14-20)17(25)12-15-6-3-4-7-15/h13,15H,3-12,14H2,1-2H3
InChIKeyBRCPPCHGPYFALM-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone (CID 135093830) is 2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)CC3CCCC3)C1)CC2.
What is the InChIKey of 2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone?
The InChIKey is BRCPPCHGPYFALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-23(2)19-21-13-16-8-10-20(18(16)22-19)9-5-11-24(14-20)17(25)12-15-6-3-4-7-15/h13,15H,3-12,14H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone?
2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone has a molecular weight of 342.49 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 135093830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).