2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide

C20H24N6O5 — CID 71786746

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)NCC2CCN(C(=O)c3ccoc3)CC2)n(C)c1=O
InChIInChI=1S/C20H24N6O5/c1-23-17-16(19(29)24(2)20(23)30)26(12-22-17)10-15(27)21-9-13-3-6-25(7-4-13)18(28)14-5-8-31-11-14/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H,21,27)
InChIKeySCZZDPZCKZDXTN-UHFFFAOYSA-N
MW428.45 g/mol
LogP-0.30
Rot. Bonds5

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 71786746) has the molecular formula C20H24N6O5 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide
PubChem CID71786746
Molecular FormulaC20H24N6O5
Molecular Weight428.45 g/mol
Exact Mass428.18
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)NCC2CCN(C(=O)c3ccoc3)CC2)n(C)c1=O
InChIInChI=1S/C20H24N6O5/c1-23-17-16(19(29)24(2)20(23)30)26(12-22-17)10-15(27)21-9-13-3-6-25(7-4-13)18(28)14-5-8-31-11-14/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H,21,27)
InChIKeySCZZDPZCKZDXTN-UHFFFAOYSA-N
XLogP-0.30
TPSA124.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

3-furyl(3-methyl-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 71836377
[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone
CID 97405977
furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97406822
[1-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone
CID 97520218
furan-3-yl-[8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 118739001
furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 118741167
N-{1-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-3-piperidyl}-3-furamide
CID 53185790
N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
CID 53191027
1-(Furan-3-carbonyl)-4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-YL]methyl}piperidine
CID 124053092
furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 124875026
N-{[1-(3-furylmethyl)piperidin-4-yl]methyl}-4-methyl-1H-imidazole-5-carboxamide
CID 131916054
N-{[1-(1H-imidazol-5-ylcarbonyl)piperidin-4-yl]methyl}-3-furamide
CID 131917586

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide (CID 71786746) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide is Cn1c(=O)c2c(ncn2CC(=O)NCC2CCN(C(=O)c3ccoc3)CC2)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is SCZZDPZCKZDXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O5/c1-23-17-16(19(29)24(2)20(23)30)26(12-22-17)10-15(27)21-9-13-3-6-25(7-4-13)18(28)14-5-8-31-11-14/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H,21,27).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 428.45 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 71786746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).