1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione

C16H26N4O2 — CID 708467

IUPAC1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CN2CCCCC2)c(=O)n1CN1CCCCC1
InChIInChI=1S/C16H26N4O2/c21-15-7-12-19(13-17-8-3-1-4-9-17)16(22)20(15)14-18-10-5-2-6-11-18/h7,12H,1-6,8-11,13-14H2
InChIKeyWDIMVYNTEGFVQN-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.90
Rot. Bonds4

About 1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione

1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione (PubChem CID 708467) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione
PubChem CID708467
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CN2CCCCC2)c(=O)n1CN1CCCCC1
InChIInChI=1S/C16H26N4O2/c21-15-7-12-19(13-17-8-3-1-4-9-17)16(22)20(15)14-18-10-5-2-6-11-18/h7,12H,1-6,8-11,13-14H2
InChIKeyWDIMVYNTEGFVQN-UHFFFAOYSA-N
XLogP0.90
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione (CID 708467) is 1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione is O=c1ccn(CN2CCCCC2)c(=O)n1CN1CCCCC1.
What is the InChIKey of 1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is WDIMVYNTEGFVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-15-7-12-19(13-17-8-3-1-4-9-17)16(22)20(15)14-18-10-5-2-6-11-18/h7,12H,1-6,8-11,13-14H2.
What are the key properties of 1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione?
1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 306.41 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(piperidin-1-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 708467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).