N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide

C20H27N5O3 — CID 4850492

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C20H27N5O3/c1-14-8-10-24(11-9-14)13-16(26)23(2)17-18(21)25(20(28)22-19(17)27)12-15-6-4-3-5-7-15/h3-7,14H,8-13,21H2,1-2H3,(H,22,27,28)
InChIKeyQEJVMONLEOUGML-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.86
Rot. Bonds5

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 4850492) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID4850492
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C20H27N5O3/c1-14-8-10-24(11-9-14)13-16(26)23(2)17-18(21)25(20(28)22-19(17)27)12-15-6-4-3-5-7-15/h3-7,14H,8-13,21H2,1-2H3,(H,22,27,28)
InChIKeyQEJVMONLEOUGML-UHFFFAOYSA-N
XLogP0.86
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide (CID 4850492) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is QEJVMONLEOUGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14-8-10-24(11-9-14)13-16(26)23(2)17-18(21)25(20(28)22-19(17)27)12-15-6-4-3-5-7-15/h3-7,14H,8-13,21H2,1-2H3,(H,22,27,28).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 385.47 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 4850492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).