N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide

C17H29N5O3 — CID 46677573

IUPACN-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C17H29N5O3/c1-4-5-6-18-15(23)13-22-9-7-21(8-10-22)12-14-11-16(24)20(3)17(25)19(14)2/h11H,4-10,12-13H2,1-3H3,(H,18,23)
InChIKeyJLVLKYZFNBQFRU-UHFFFAOYSA-N
MW351.45 g/mol
LogP-0.88
Rot. Bonds7

About N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide

N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 46677573) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID46677573
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC NameN-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C17H29N5O3/c1-4-5-6-18-15(23)13-22-9-7-21(8-10-22)12-14-11-16(24)20(3)17(25)19(14)2/h11H,4-10,12-13H2,1-3H3,(H,18,23)
InChIKeyJLVLKYZFNBQFRU-UHFFFAOYSA-N
XLogP-0.88
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
N-tert-butyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137635223
N-tert-butyl-2-(3-hexyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 137648160
1,3-Dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione
CID 657656
N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
6-Amino-1,3-dimethyl-5-(piperazin-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 7131137
6-Amino-1-butyl-5-butylamino-1H-pyrimidine-2,4-dione
CID 2341171
N-(1-Butyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-(trimethylazaniumyl)ethanimidate--hydrogen bromide (1/1)
CID 59538
1,3-Dimethyl-6-[[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56796823
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide (CID 46677573) is N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is JLVLKYZFNBQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-4-5-6-18-15(23)13-22-9-7-21(8-10-22)12-14-11-16(24)20(3)17(25)19(14)2/h11H,4-10,12-13H2,1-3H3,(H,18,23).
What are the key properties of N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide?
N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 351.45 g/mol, XLogP of -0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46677573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).