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

C20H31N5O2 — CID 163306968

IUPAC[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)N2CCCC3(CCc4cnc(N(C)C)nc43)C2)CCNCC1
InChIInChI=1S/C20H31N5O2/c1-24(2)18-22-13-15-5-7-19(16(15)23-18)6-4-12-25(14-19)17(26)20(27-3)8-10-21-11-9-20/h13,21H,4-12,14H2,1-3H3
InChIKeyYDNCTJKNGOSQBN-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.12
Rot. Bonds3

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

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone (PubChem CID 163306968) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone
PubChem CID163306968
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)N2CCCC3(CCc4cnc(N(C)C)nc43)C2)CCNCC1
InChIInChI=1S/C20H31N5O2/c1-24(2)18-22-13-15-5-7-19(16(15)23-18)6-4-12-25(14-19)17(26)20(27-3)8-10-21-11-9-20/h13,21H,4-12,14H2,1-3H3
InChIKeyYDNCTJKNGOSQBN-UHFFFAOYSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone?
The IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone (CID 163306968) is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone?
The canonical SMILES for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone is COC1(C(=O)N2CCCC3(CCc4cnc(N(C)C)nc43)C2)CCNCC1.
What is the InChIKey of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone?
The InChIKey is YDNCTJKNGOSQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-24(2)18-22-13-15-5-7-19(16(15)23-18)6-4-12-25(14-19)17(26)20(27-3)8-10-21-11-9-20/h13,21H,4-12,14H2,1-3H3.
What are the key properties of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone?
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone has a molecular weight of 373.50 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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]-(4-methoxypiperidin-4-yl)methanone is sourced from PubChem (CID 163306968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).