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

C18H28N4O2 — CID 136715632

IUPAC2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-13-12-15(23)20-16(19-13)14-6-10-22(11-7-14)17(24)18(2)8-4-5-9-21(18)3/h12,14H,4-11H2,1-3H3,(H,19,20,23)/t18-/m1/s1
InChIKeyILWFEEDKRQILMI-GOSISDBHSA-N
MW332.45 g/mol
LogP1.66
Rot. Bonds2

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

2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136715632) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136715632
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-13-12-15(23)20-16(19-13)14-6-10-22(11-7-14)17(24)18(2)8-4-5-9-21(18)3/h12,14H,4-11H2,1-3H3,(H,19,20,23)/t18-/m1/s1
InChIKeyILWFEEDKRQILMI-GOSISDBHSA-N
XLogP1.66
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

1'-methyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-1,4'-bipiperidine-3-carboxamide
CID 136147228
4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137248440
2-(4-hexanoylpiperazin-1-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one
CID 135933239
N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexanecarboxamide
CID 135990316
N-[(6-hydroxypyrimidin-4-yl)methyl]-1-piperidin-1-ylcyclohexanecarboxamide
CID 136037738
1-[(2-Isopropyl-6-oxo-1,6-dihydro-4-pyrimidinyl)methyl]-4-piperidinecarboxamide
CID 136087956
N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136217067
2-(3-{[4-(6-Hydroxy-2-methyl-4-pyrimidinyl)-1-piperidinyl]carbonyl}-1-piperidinyl)acetamide
CID 136227427
2-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide
CID 136232162
1-(cyclohexylmethyl)-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 136232337
2-Methyl-6-(1-{[1-(1-pyrrolidinyl)cyclopentyl]carbonyl}-4-piperidinyl)-4-pyrimidinol
CID 136232458
N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-(1-methyl-3-piperidinyl)propanamide
CID 136233453

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one (CID 136715632) is 2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)n1.
What is the InChIKey of 2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ILWFEEDKRQILMI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-12-15(23)20-16(19-13)14-6-10-22(11-7-14)17(24)18(2)8-4-5-9-21(18)3/h12,14H,4-11H2,1-3H3,(H,19,20,23)/t18-/m1/s1.
What are the key properties of 2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one?
2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 332.45 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R)-1,2-dimethylpiperidine-2-carbonyl]piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136715632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).