6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one

C20H32N4O2 — CID 91777675

IUPAC6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one
SMILESCC(C)(C)c1cc(C(=O)N2CCC(CN3CCCCC3)CC2)nc(=O)[nH]1
InChIInChI=1S/C20H32N4O2/c1-20(2,3)17-13-16(21-19(26)22-17)18(25)24-11-7-15(8-12-24)14-23-9-5-4-6-10-23/h13,15H,4-12,14H2,1-3H3,(H,21,22,26)
InChIKeyZWPQHIHIIWDZQO-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.41
Rot. Bonds3

About 6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one

6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one (PubChem CID 91777675) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one
PubChem CID91777675
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one
SMILESCC(C)(C)c1cc(C(=O)N2CCC(CN3CCCCC3)CC2)nc(=O)[nH]1
InChIInChI=1S/C20H32N4O2/c1-20(2,3)17-13-16(21-19(26)22-17)18(25)24-11-7-15(8-12-24)14-23-9-5-4-6-10-23/h13,15H,4-12,14H2,1-3H3,(H,21,22,26)
InChIKeyZWPQHIHIIWDZQO-UHFFFAOYSA-N
XLogP2.41
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one (CID 91777675) is 6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one is CC(C)(C)c1cc(C(=O)N2CCC(CN3CCCCC3)CC2)nc(=O)[nH]1.
What is the InChIKey of 6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
The InChIKey is ZWPQHIHIIWDZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-20(2,3)17-13-16(21-19(26)22-17)18(25)24-11-7-15(8-12-24)14-23-9-5-4-6-10-23/h13,15H,4-12,14H2,1-3H3,(H,21,22,26).
What are the key properties of 6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one has a molecular weight of 360.50 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 91777675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).