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

C18H31N5O3 — CID 8557868

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN2CCC(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O3/c1-4-6-9-23-16(19)15(17(25)20-18(23)26)22(5-2)14(24)12-21-10-7-13(3)8-11-21/h13H,4-12,19H2,1-3H3,(H,20,25,26)
InChIKeyBXPQRQDBJPGRGJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.00
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 8557868) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID8557868
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN2CCC(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O3/c1-4-6-9-23-16(19)15(17(25)20-18(23)26)22(5-2)14(24)12-21-10-7-13(3)8-11-21/h13H,4-12,19H2,1-3H3,(H,20,25,26)
InChIKeyBXPQRQDBJPGRGJ-UHFFFAOYSA-N
XLogP1.00
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.00
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-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide (CID 8557868) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide is CCCCn1c(N)c(N(CC)C(=O)CN2CCC(C)CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is BXPQRQDBJPGRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-4-6-9-23-16(19)15(17(25)20-18(23)26)22(5-2)14(24)12-21-10-7-13(3)8-11-21/h13H,4-12,19H2,1-3H3,(H,20,25,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 8557868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).