5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C19H32N4O — CID 126941186

IUPAC5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3CCCCN3C)CC2)c(=O)c1C
InChIInChI=1S/C19H32N4O/c1-15-16(2)20-14-23(19(15)24)12-17-7-10-22(11-8-17)13-18-6-4-5-9-21(18)3/h14,17-18H,4-13H2,1-3H3
InChIKeyGAYYZBPQSCUNKB-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.06
Rot. Bonds4

About 5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941186) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941186
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3CCCCN3C)CC2)c(=O)c1C
InChIInChI=1S/C19H32N4O/c1-15-16(2)20-14-23(19(15)24)12-17-7-10-22(11-8-17)13-18-6-4-5-9-21(18)3/h14,17-18H,4-13H2,1-3H3
InChIKeyGAYYZBPQSCUNKB-UHFFFAOYSA-N
XLogP2.06
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941186) is 5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(CC3CCCCN3C)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is GAYYZBPQSCUNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-15-16(2)20-14-23(19(15)24)12-17-7-10-22(11-8-17)13-18-6-4-5-9-21(18)3/h14,17-18H,4-13H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 332.49 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).