6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C16H22N4O4 — CID 70751096

IUPAC6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H22N4O4/c21-13-10-12(17-16(24)18-13)15(23)20-8-4-11(5-9-20)14(22)19-6-2-1-3-7-19/h10-11H,1-9H2,(H2,17,18,21,24)
InChIKeyVRGFYNQMGZOUFF-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.07
Rot. Bonds2

About 6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 70751096) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID70751096
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H22N4O4/c21-13-10-12(17-16(24)18-13)15(23)20-8-4-11(5-9-20)14(22)19-6-2-1-3-7-19/h10-11H,1-9H2,(H2,17,18,21,24)
InChIKeyVRGFYNQMGZOUFF-UHFFFAOYSA-N
XLogP-0.07
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 70751096) is 6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of 6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VRGFYNQMGZOUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c21-13-10-12(17-16(24)18-13)15(23)20-8-4-11(5-9-20)14(22)19-6-2-1-3-7-19/h10-11H,1-9H2,(H2,17,18,21,24).
What are the key properties of 6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70751096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).