N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide

C19H29N7O3 — CID 78826422

IUPACN-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide
SMILESCn1cnc2c1c(=O)n(CCCN1CCN(CC(=O)NC3CC3)CC1)c(=O)n2C
InChIInChI=1S/C19H29N7O3/c1-22-13-20-17-16(22)18(28)26(19(29)23(17)2)7-3-6-24-8-10-25(11-9-24)12-15(27)21-14-4-5-14/h13-14H,3-12H2,1-2H3,(H,21,27)
InChIKeyLZPRVPSCJSBKBH-UHFFFAOYSA-N
MW403.49 g/mol
LogP-1.28
Rot. Bonds7

About N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide (PubChem CID 78826422) has the molecular formula C19H29N7O3 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide
PubChem CID78826422
Molecular FormulaC19H29N7O3
Molecular Weight403.49 g/mol
Exact Mass403.23
IUPAC NameN-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide
SMILESCn1cnc2c1c(=O)n(CCCN1CCN(CC(=O)NC3CC3)CC1)c(=O)n2C
InChIInChI=1S/C19H29N7O3/c1-22-13-20-17-16(22)18(28)26(19(29)23(17)2)7-3-6-24-8-10-25(11-9-24)12-15(27)21-14-4-5-14/h13-14H,3-12H2,1-2H3,(H,21,27)
InChIKeyLZPRVPSCJSBKBH-UHFFFAOYSA-N
XLogP-1.28
TPSA97.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78825143
N-benzyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide
CID 30746776
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
CID 55660023
N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 99780315
methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate
CID 96529359
3,7-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]purine-2,6-dione
CID 15571867
3-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]cyclobutane-1-carboxylic acid
CID 175025506
1-[3-[3-(3-aminopropyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604420
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444940
1-[3-[3-(2-aminoethyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604418
1-(7-bromoheptyl)-3,7-dimethylpurine-2,6-dione
CID 23313665
3,7-dimethyl-1-[9-(oxiran-2-yl)nonyl]purine-2,6-dione
CID 15885496

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide (CID 78826422) is N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide is Cn1cnc2c1c(=O)n(CCCN1CCN(CC(=O)NC3CC3)CC1)c(=O)n2C.
What is the InChIKey of N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide?
The InChIKey is LZPRVPSCJSBKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O3/c1-22-13-20-17-16(22)18(28)26(19(29)23(17)2)7-3-6-24-8-10-25(11-9-24)12-15(27)21-14-4-5-14/h13-14H,3-12H2,1-2H3,(H,21,27).
What are the key properties of N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide has a molecular weight of 403.49 g/mol, XLogP of -1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78826422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).