3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide

C18H24N4O3 — CID 175658269

IUPAC3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCNCC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C18H24N4O3/c1-12-2-3-14(17(24)20-11-13-4-7-19-8-5-13)10-15(12)22-9-6-16(23)21-18(22)25/h2-3,10,13,19H,4-9,11H2,1H3,(H,20,24)(H,21,23,25)
InChIKeyOIMIQJDOMUDGPA-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.17
Rot. Bonds4

About 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide

3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 175658269) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID175658269
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCNCC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C18H24N4O3/c1-12-2-3-14(17(24)20-11-13-4-7-19-8-5-13)10-15(12)22-9-6-16(23)21-18(22)25/h2-3,10,13,19H,4-9,11H2,1H3,(H,20,24)(H,21,23,25)
InChIKeyOIMIQJDOMUDGPA-UHFFFAOYSA-N
XLogP1.17
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide (CID 175658269) is 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide is Cc1ccc(C(=O)NCC2CCNCC2)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is OIMIQJDOMUDGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-2-3-14(17(24)20-11-13-4-7-19-8-5-13)10-15(12)22-9-6-16(23)21-18(22)25/h2-3,10,13,19H,4-9,11H2,1H3,(H,20,24)(H,21,23,25).
What are the key properties of 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide?
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 344.42 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 175658269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).