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

C21H29N5O3 — CID 5028236

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCCCC1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H29N5O3/c1-3-25(17(27)14-24-12-8-7-9-15(24)2)18-19(22)26(21(29)23-20(18)28)13-16-10-5-4-6-11-16/h4-6,10-11,15H,3,7-9,12-14,22H2,1-2H3,(H,23,28,29)
InChIKeyWRKFMYVIDWENSP-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.39
Rot. Bonds6

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

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide (PubChem CID 5028236) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide
PubChem CID5028236
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCCCC1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H29N5O3/c1-3-25(17(27)14-24-12-8-7-9-15(24)2)18-19(22)26(21(29)23-20(18)28)13-16-10-5-4-6-11-16/h4-6,10-11,15H,3,7-9,12-14,22H2,1-2H3,(H,23,28,29)
InChIKeyWRKFMYVIDWENSP-UHFFFAOYSA-N
XLogP1.39
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.39
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-ethyl-2-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide (CID 5028236) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide is CCN(C(=O)CN1CCCCC1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is WRKFMYVIDWENSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-3-25(17(27)14-24-12-8-7-9-15(24)2)18-19(22)26(21(29)23-20(18)28)13-16-10-5-4-6-11-16/h4-6,10-11,15H,3,7-9,12-14,22H2,1-2H3,(H,23,28,29).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 399.50 g/mol, XLogP of 1.39, 6 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-ethyl-2-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 5028236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).