N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide

C12H18N4O3 — CID 137009944

IUPACN-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCOc1c(N2CCC(NC(C)=O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H18N4O3/c1-8(17)15-9-3-5-16(6-4-9)11-10(19-2)12(18)14-7-13-11/h7,9H,3-6H2,1-2H3,(H,15,17)(H,13,14,18)
InChIKeyLRQWBVIPULWKFS-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.12
Rot. Bonds3

About N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide

N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 137009944) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID137009944
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCOc1c(N2CCC(NC(C)=O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H18N4O3/c1-8(17)15-9-3-5-16(6-4-9)11-10(19-2)12(18)14-7-13-11/h7,9H,3-6H2,1-2H3,(H,15,17)(H,13,14,18)
InChIKeyLRQWBVIPULWKFS-UHFFFAOYSA-N
XLogP-0.12
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide (CID 137009944) is N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide is COc1c(N2CCC(NC(C)=O)CC2)nc[nH]c1=O.
What is the InChIKey of N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is LRQWBVIPULWKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(17)15-9-3-5-16(6-4-9)11-10(19-2)12(18)14-7-13-11/h7,9H,3-6H2,1-2H3,(H,15,17)(H,13,14,18).
What are the key properties of N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 266.30 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 137009944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).