N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide

C14H22N4O3 — CID 91832966

IUPACN-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1
InChIInChI=1S/C14H22N4O3/c1-10-8-13(20)18(14(21)15-10)7-6-17-5-3-4-12(9-17)16-11(2)19/h8,12H,3-7,9H2,1-2H3,(H,15,21)(H,16,19)
InChIKeyOZSVTCKGEVBPGM-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.55
Rot. Bonds4

About N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide

N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide (PubChem CID 91832966) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide
PubChem CID91832966
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1
InChIInChI=1S/C14H22N4O3/c1-10-8-13(20)18(14(21)15-10)7-6-17-5-3-4-12(9-17)16-11(2)19/h8,12H,3-7,9H2,1-2H3,(H,15,21)(H,16,19)
InChIKeyOZSVTCKGEVBPGM-UHFFFAOYSA-N
XLogP-0.55
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide (CID 91832966) is N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1.
What is the InChIKey of N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide?
The InChIKey is OZSVTCKGEVBPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-8-13(20)18(14(21)15-10)7-6-17-5-3-4-12(9-17)16-11(2)19/h8,12H,3-7,9H2,1-2H3,(H,15,21)(H,16,19).
What are the key properties of N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide?
N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide has a molecular weight of 294.35 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 91832966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).