4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid

C17H26N4O2 — CID 135098208

IUPAC4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid
SMILESCN(C)c1ncc2c(n1)C1(CCCN(CCCC(=O)O)C1)CC2
InChIInChI=1S/C17H26N4O2/c1-20(2)16-18-11-13-6-8-17(15(13)19-16)7-4-10-21(12-17)9-3-5-14(22)23/h11H,3-10,12H2,1-2H3,(H,22,23)
InChIKeyDRKXAWUOSZSDGL-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.69
Rot. Bonds5

About 4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid

4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid (PubChem CID 135098208) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid
PubChem CID135098208
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid
SMILESCN(C)c1ncc2c(n1)C1(CCCN(CCCC(=O)O)C1)CC2
InChIInChI=1S/C17H26N4O2/c1-20(2)16-18-11-13-6-8-17(15(13)19-16)7-4-10-21(12-17)9-3-5-14(22)23/h11H,3-10,12H2,1-2H3,(H,22,23)
InChIKeyDRKXAWUOSZSDGL-UHFFFAOYSA-N
XLogP1.69
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propanoic acid
CID 135088105
1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135095110
N,N-dimethyl-1'-(2-morpholin-4-ylethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135112937
1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135112042
6-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]pyridine-2-carboxylic acid
CID 135091937
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(hydroxymethyl)cyclopropyl]methanone
CID 164698444
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone
CID 163304934
5-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]-2-methoxybenzoic acid
CID 163310429
N-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]acetamide
CID 135111986
1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 135108398
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
CID 163314059
(2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 163317679

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid?
The IUPAC name of 4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid (CID 135098208) is 4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid?
The canonical SMILES for 4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid is CN(C)c1ncc2c(n1)C1(CCCN(CCCC(=O)O)C1)CC2.
What is the InChIKey of 4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid?
The InChIKey is DRKXAWUOSZSDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20(2)16-18-11-13-6-8-17(15(13)19-16)7-4-10-21(12-17)9-3-5-14(22)23/h11H,3-10,12H2,1-2H3,(H,22,23).
What are the key properties of 4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid?
4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid has a molecular weight of 318.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid is sourced from PubChem (CID 135098208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).