2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one

C17H26N4O2 — CID 136557609

IUPAC2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C(=O)N3CCC(C)CC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C17H26N4O2/c1-12-3-7-21(8-4-12)17(23)14-5-9-20(10-6-14)15-11-16(22)19-13(2)18-15/h11-12,14H,3-10H2,1-2H3,(H,18,19,22)
InChIKeyZSSKRYHTTASOJV-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.55
Rot. Bonds2

About 2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one

2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136557609) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136557609
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C(=O)N3CCC(C)CC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C17H26N4O2/c1-12-3-7-21(8-4-12)17(23)14-5-9-20(10-6-14)15-11-16(22)19-13(2)18-15/h11-12,14H,3-10H2,1-2H3,(H,18,19,22)
InChIKeyZSSKRYHTTASOJV-UHFFFAOYSA-N
XLogP1.55
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136557609) is 2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one is Cc1nc(N2CCC(C(=O)N3CCC(C)CC3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ZSSKRYHTTASOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-3-7-21(8-4-12)17(23)14-5-9-20(10-6-14)15-11-16(22)19-13(2)18-15/h11-12,14H,3-10H2,1-2H3,(H,18,19,22).
What are the key properties of 2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 318.42 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136557609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).