1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione

C22H35N5O3 — CID 20972482

IUPAC1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCn1c(N2CCCC(C(=O)N3CCC(N4CCCCC4)CC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C22H35N5O3/c1-23-19(15-20(28)24(2)22(23)30)27-12-6-7-17(16-27)21(29)26-13-8-18(9-14-26)25-10-4-3-5-11-25/h15,17-18H,3-14,16H2,1-2H3
InChIKeyJEFPCGBUPBILKH-UHFFFAOYSA-N
MW417.55 g/mol
LogP0.78
Rot. Bonds3

About 1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione

1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione (PubChem CID 20972482) has the molecular formula C22H35N5O3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
PubChem CID20972482
Molecular FormulaC22H35N5O3
Molecular Weight417.55 g/mol
Exact Mass417.27
IUPAC Name1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCn1c(N2CCCC(C(=O)N3CCC(N4CCCCC4)CC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C22H35N5O3/c1-23-19(15-20(28)24(2)22(23)30)27-12-6-7-17(16-27)21(29)26-13-8-18(9-14-26)25-10-4-3-5-11-25/h15,17-18H,3-14,16H2,1-2H3
InChIKeyJEFPCGBUPBILKH-UHFFFAOYSA-N
XLogP0.78
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione (CID 20972482) is 1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione is Cn1c(N2CCCC(C(=O)N3CCC(N4CCCCC4)CC3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The InChIKey is JEFPCGBUPBILKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O3/c1-23-19(15-20(28)24(2)22(23)30)27-12-6-7-17(16-27)21(29)26-13-8-18(9-14-26)25-10-4-3-5-11-25/h15,17-18H,3-14,16H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione has a molecular weight of 417.55 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 20972482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).