2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one

C18H28N4O2 — CID 70711114

IUPAC2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCCCC2CCN2CCCC2)c(=O)[nH]1
InChIInChI=1S/C18H28N4O2/c1-14-19-13-15(18(24)20-14)12-17(23)22-10-3-2-6-16(22)7-11-21-8-4-5-9-21/h13,16H,2-12H2,1H3,(H,19,20,24)
InChIKeyFPQCXWFDLRDQAN-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.49
Rot. Bonds5

About 2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one

2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 70711114) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID70711114
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCCCC2CCN2CCCC2)c(=O)[nH]1
InChIInChI=1S/C18H28N4O2/c1-14-19-13-15(18(24)20-14)12-17(23)22-10-3-2-6-16(22)7-11-21-8-4-5-9-21/h13,16H,2-12H2,1H3,(H,19,20,24)
InChIKeyFPQCXWFDLRDQAN-UHFFFAOYSA-N
XLogP1.49
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one 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 2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (CID 70711114) is 2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2CCCCC2CCN2CCCC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is FPQCXWFDLRDQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-19-13-15(18(24)20-14)12-17(23)22-10-3-2-6-16(22)7-11-21-8-4-5-9-21/h13,16H,2-12H2,1H3,(H,19,20,24).
What are the key properties of 2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 332.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 70711114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).