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

C19H28N4O2 — CID 163304934

IUPAC[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)C3(O)CCCC3)C1)CC2
InChIInChI=1S/C19H28N4O2/c1-22(2)17-20-12-14-6-10-18(15(14)21-17)7-5-11-23(13-18)16(24)19(25)8-3-4-9-19/h12,25H,3-11,13H2,1-2H3
InChIKeyNLMOHARLEKROTN-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.65
Rot. Bonds2

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

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone (PubChem CID 163304934) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone
PubChem CID163304934
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)C3(O)CCCC3)C1)CC2
InChIInChI=1S/C19H28N4O2/c1-22(2)17-20-12-14-6-10-18(15(14)21-17)7-5-11-23(13-18)16(24)19(25)8-3-4-9-19/h12,25H,3-11,13H2,1-2H3
InChIKeyNLMOHARLEKROTN-UHFFFAOYSA-N
XLogP1.65
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(hydroxymethyl)cyclopropyl]methanone
CID 164698444
N-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]acetamide
CID 135111986
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone
CID 163306968
(2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 163317679
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
CID 163314059
(4-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 135090739
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]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 163312876
1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone
CID 163318342
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
2-(4-chlorophenoxy)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 135101439
1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 135090068

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone?
The IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone (CID 163304934) is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)C3(O)CCCC3)C1)CC2.
What is the InChIKey of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone?
The InChIKey is NLMOHARLEKROTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-22(2)17-20-12-14-6-10-18(15(14)21-17)7-5-11-23(13-18)16(24)19(25)8-3-4-9-19/h12,25H,3-11,13H2,1-2H3.
What are the key properties of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone?
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone has a molecular weight of 344.46 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 163304934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).