2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid

C19H26N6O4 — CID 154941825

IUPAC2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(C1CC(O)CN1C(=O)O)N1CCC(N2C=CC=NC2)C(N2C=CC=NC2)C1
InChIInChI=1S/C19H26N6O4/c26-14-9-16(25(10-14)19(28)29)18(27)22-8-3-15(23-6-1-4-20-12-23)17(11-22)24-7-2-5-21-13-24/h1-2,4-7,14-17,26H,3,8-13H2,(H,28,29)
InChIKeyYRQJNCSCPCLFBH-UHFFFAOYSA-N
MW402.46 g/mol
LogP-0.22
Rot. Bonds3

About 2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid

2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 154941825) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID154941825
Molecular FormulaC19H26N6O4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC Name2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(C1CC(O)CN1C(=O)O)N1CCC(N2C=CC=NC2)C(N2C=CC=NC2)C1
InChIInChI=1S/C19H26N6O4/c26-14-9-16(25(10-14)19(28)29)18(27)22-8-3-15(23-6-1-4-20-12-23)17(11-22)24-7-2-5-21-13-24/h1-2,4-7,14-17,26H,3,8-13H2,(H,28,29)
InChIKeyYRQJNCSCPCLFBH-UHFFFAOYSA-N
XLogP-0.22
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid 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-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid (CID 154941825) is 2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid is O=C(C1CC(O)CN1C(=O)O)N1CCC(N2C=CC=NC2)C(N2C=CC=NC2)C1.
What is the InChIKey of 2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is YRQJNCSCPCLFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4/c26-14-9-16(25(10-14)19(28)29)18(27)22-8-3-15(23-6-1-4-20-12-23)17(11-22)24-7-2-5-21-13-24/h1-2,4-7,14-17,26H,3,8-13H2,(H,28,29).
What are the key properties of 2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid?
2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 402.46 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(2H-pyrimidin-1-yl)piperidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154941825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).