2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

C21H31N5O3 — CID 70716004

IUPAC2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C21H31N5O3/c1-15-22-13-18(19(27)23-15)21(29)25-11-6-17(7-12-25)26-10-4-5-16(14-26)20(28)24-8-2-3-9-24/h13,16-17H,2-12,14H2,1H3,(H,22,23,27)
InChIKeyGUGSNOZMZYUSPB-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.02
Rot. Bonds3

About 2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 70716004) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID70716004
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C21H31N5O3/c1-15-22-13-18(19(27)23-15)21(29)25-11-6-17(7-12-25)26-10-4-5-16(14-26)20(28)24-8-2-3-9-24/h13,16-17H,2-12,14H2,1H3,(H,22,23,27)
InChIKeyGUGSNOZMZYUSPB-UHFFFAOYSA-N
XLogP1.02
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-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-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 70716004) is 2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is GUGSNOZMZYUSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-15-22-13-18(19(27)23-15)21(29)25-11-6-17(7-12-25)26-10-4-5-16(14-26)20(28)24-8-2-3-9-24/h13,16-17H,2-12,14H2,1H3,(H,22,23,27).
What are the key properties of 2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 401.51 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 70716004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).