6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

C19H30N4O3 — CID 91843165

IUPAC6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN2CCC(CCC(=O)N3CCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C19H30N4O3/c1-15-14-18(25)23(19(26)20-15)13-12-21-10-6-16(7-11-21)4-5-17(24)22-8-2-3-9-22/h14,16H,2-13H2,1H3,(H,20,26)
InChIKeyCHKKPLASDYAAKS-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.96
Rot. Bonds6

About 6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 91843165) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID91843165
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN2CCC(CCC(=O)N3CCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C19H30N4O3/c1-15-14-18(25)23(19(26)20-15)13-12-21-10-6-16(7-11-21)4-5-17(24)22-8-2-3-9-22/h14,16H,2-13H2,1H3,(H,20,26)
InChIKeyCHKKPLASDYAAKS-UHFFFAOYSA-N
XLogP0.96
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione 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 6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 91843165) is 6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(CCN2CCC(CCC(=O)N3CCCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CHKKPLASDYAAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15-14-18(25)23(19(26)20-15)13-12-21-10-6-16(7-11-21)4-5-17(24)22-8-2-3-9-22/h14,16H,2-13H2,1H3,(H,20,26).
What are the key properties of 6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 362.47 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91843165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).