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

C22H35N5O2 — CID 135090093

IUPAC[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CCCC3(CCc4cnc(N(C)C)nc43)C2)CC1
InChIInChI=1S/C22H35N5O2/c1-25(2)21-23-15-18-5-9-22(19(18)24-21)8-4-10-27(16-22)20(28)17-6-11-26(12-7-17)13-14-29-3/h15,17H,4-14,16H2,1-3H3
InChIKeyWBZKHYWHKQKBFV-UHFFFAOYSA-N
MW401.56 g/mol
LogP1.71
Rot. Bonds5

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

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone (PubChem CID 135090093) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
PubChem CID135090093
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CCCC3(CCc4cnc(N(C)C)nc43)C2)CC1
InChIInChI=1S/C22H35N5O2/c1-25(2)21-23-15-18-5-9-22(19(18)24-21)8-4-10-27(16-22)20(28)17-6-11-26(12-7-17)13-14-29-3/h15,17H,4-14,16H2,1-3H3
InChIKeyWBZKHYWHKQKBFV-UHFFFAOYSA-N
XLogP1.71
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135095110
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(hydroxymethyl)cyclopropyl]methanone
CID 164698444
(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]-(1-hydroxycyclopentyl)methanone
CID 163304934
3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propanoic acid
CID 135088105
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone
CID 163306968
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
CID 163314059
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
N,N-dimethyl-1'-(2-morpholin-4-ylethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135112937
(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

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
The IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone (CID 135090093) is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
The canonical SMILES for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone is COCCN1CCC(C(=O)N2CCCC3(CCc4cnc(N(C)C)nc43)C2)CC1.
What is the InChIKey of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
The InChIKey is WBZKHYWHKQKBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-25(2)21-23-15-18-5-9-22(19(18)24-21)8-4-10-27(16-22)20(28)17-6-11-26(12-7-17)13-14-29-3/h15,17H,4-14,16H2,1-3H3.
What are the key properties of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone has a molecular weight of 401.56 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 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]-[1-(2-methoxyethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 135090093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).