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

C17H29N5O4 — CID 18225012

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN2CCC(O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H29N5O4/c1-3-5-8-22-15(18)14(16(25)19-17(22)26)21(4-2)13(24)11-20-9-6-12(23)7-10-20/h12,23H,3-11,18H2,1-2H3,(H,19,25,26)
InChIKeyMKJJBMHPGFOTJR-UHFFFAOYSA-N
MW367.45 g/mol
LogP-0.27
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide (PubChem CID 18225012) has the molecular formula C17H29N5O4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
PubChem CID18225012
Molecular FormulaC17H29N5O4
Molecular Weight367.45 g/mol
Exact Mass367.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN2CCC(O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H29N5O4/c1-3-5-8-22-15(18)14(16(25)19-17(22)26)21(4-2)13(24)11-20-9-6-12(23)7-10-20/h12,23H,3-11,18H2,1-2H3,(H,19,25,26)
InChIKeyMKJJBMHPGFOTJR-UHFFFAOYSA-N
XLogP-0.27
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide (CID 18225012) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide is CCCCn1c(N)c(N(CC)C(=O)CN2CCC(O)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-hydroxypiperidin-1-yl)acetamide?
The InChIKey is MKJJBMHPGFOTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O4/c1-3-5-8-22-15(18)14(16(25)19-17(22)26)21(4-2)13(24)11-20-9-6-12(23)7-10-20/h12,23H,3-11,18H2,1-2H3,(H,19,25,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide has a molecular weight of 367.45 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 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-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 18225012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).