2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone

C16H24N4O2 — CID 45200018

IUPAC2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C16H24N4O2/c1-22-12-15(21)20-10-5-14(11-20)13-3-8-19(9-4-13)16-17-6-2-7-18-16/h2,6-7,13-14H,3-5,8-12H2,1H3
InChIKeyVHKWRSZRCGWWTG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.19
Rot. Bonds4

About 2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone

2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 45200018) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID45200018
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C16H24N4O2/c1-22-12-15(21)20-10-5-14(11-20)13-3-8-19(9-4-13)16-17-6-2-7-18-16/h2,6-7,13-14H,3-5,8-12H2,1H3
InChIKeyVHKWRSZRCGWWTG-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone 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-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone (CID 45200018) is 2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone is COCC(=O)N1CCC(C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is VHKWRSZRCGWWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-22-12-15(21)20-10-5-14(11-20)13-3-8-19(9-4-13)16-17-6-2-7-18-16/h2,6-7,13-14H,3-5,8-12H2,1H3.
What are the key properties of 2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone?
2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 45200018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).