2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one

C24H38N4O2 — CID 136797225

IUPAC2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
SMILESCCC(=O)N1CCCC(c2cc(=O)[nH]c(C3CCN(CC4CCCCC4)CC3)n2)C1
InChIInChI=1S/C24H38N4O2/c1-2-23(30)28-12-6-9-20(17-28)21-15-22(29)26-24(25-21)19-10-13-27(14-11-19)16-18-7-4-3-5-8-18/h15,18-20H,2-14,16-17H2,1H3,(H,25,26,29)
InChIKeyBEXNQKKAUBORQQ-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.65
Rot. Bonds5

About 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one

2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one (PubChem CID 136797225) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
PubChem CID136797225
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
SMILESCCC(=O)N1CCCC(c2cc(=O)[nH]c(C3CCN(CC4CCCCC4)CC3)n2)C1
InChIInChI=1S/C24H38N4O2/c1-2-23(30)28-12-6-9-20(17-28)21-15-22(29)26-24(25-21)19-10-13-27(14-11-19)16-18-7-4-3-5-8-18/h15,18-20H,2-14,16-17H2,1H3,(H,25,26,29)
InChIKeyBEXNQKKAUBORQQ-UHFFFAOYSA-N
XLogP3.65
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[(3R)-1-butanoylpiperidin-3-yl]-2-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136892208
2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136860306
4-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136860298
4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136804079
4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136797281
2-[1-(2-methoxyacetyl)piperidin-4-yl]-4-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 137090424
2-[1-(2-methoxyacetyl)piperidin-4-yl]-4-[(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136899488
4-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136860261
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
2-[1-(2-methylpropanoyl)piperidin-4-yl]-4-[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136860274
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136816528

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one (CID 136797225) is 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one is CCC(=O)N1CCCC(c2cc(=O)[nH]c(C3CCN(CC4CCCCC4)CC3)n2)C1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is BEXNQKKAUBORQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-2-23(30)28-12-6-9-20(17-28)21-15-22(29)26-24(25-21)19-10-13-27(14-11-19)16-18-7-4-3-5-8-18/h15,18-20H,2-14,16-17H2,1H3,(H,25,26,29).
What are the key properties of 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one?
2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 414.59 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136797225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).