2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide

C14H21N5O4 — CID 72932140

IUPAC2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H21N5O4/c1-2-15-11(20)9-18-3-5-19(6-4-18)12(21)7-10-8-16-14(23)17-13(10)22/h8H,2-7,9H2,1H3,(H,15,20)(H2,16,17,22,23)
InChIKeyCBEQEAGRXOFKRM-UHFFFAOYSA-N
MW323.35 g/mol
LogP-2.11
Rot. Bonds5

About 2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 72932140) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID72932140
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H21N5O4/c1-2-15-11(20)9-18-3-5-19(6-4-18)12(21)7-10-8-16-14(23)17-13(10)22/h8H,2-7,9H2,1H3,(H,15,20)(H2,16,17,22,23)
InChIKeyCBEQEAGRXOFKRM-UHFFFAOYSA-N
XLogP-2.11
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide (CID 72932140) is 2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is CBEQEAGRXOFKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4/c1-2-15-11(20)9-18-3-5-19(6-4-18)12(21)7-10-8-16-14(23)17-13(10)22/h8H,2-7,9H2,1H3,(H,15,20)(H2,16,17,22,23).
What are the key properties of 2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 323.35 g/mol, XLogP of -2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 72932140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).