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

C25H40N4O2 — CID 136860306

IUPAC2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCC(C)C(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(CC4CCCCC4)CC3)n2)C1
InChIInChI=1S/C25H40N4O2/c1-18(2)25(31)29-12-6-9-21(17-29)22-15-23(30)27-24(26-22)20-10-13-28(14-11-20)16-19-7-4-3-5-8-19/h15,18-21H,3-14,16-17H2,1-2H3,(H,26,27,30)/t21-/m1/s1
InChIKeyHYENFLRFXVUNSV-OAQYLSRUSA-N
MW428.62 g/mol
LogP3.89
Rot. Bonds5

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

2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136860306) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136860306
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC Name2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCC(C)C(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(CC4CCCCC4)CC3)n2)C1
InChIInChI=1S/C25H40N4O2/c1-18(2)25(31)29-12-6-9-21(17-29)22-15-23(30)27-24(26-22)20-10-13-28(14-11-20)16-19-7-4-3-5-8-19/h15,18-21H,3-14,16-17H2,1-2H3,(H,26,27,30)/t21-/m1/s1
InChIKeyHYENFLRFXVUNSV-OAQYLSRUSA-N
XLogP3.89
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136860298
2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136797225
4-[(3R)-1-butanoylpiperidin-3-yl]-2-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136892208
4-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136860261
4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136797281
2-[1-(2-methylpropanoyl)piperidin-4-yl]-4-[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136860274
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-(4-methylbenzoyl)piperidin-4-yl]-4-(1-propan-2-ylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136797247
2-[1-(2-methoxyacetyl)piperidin-4-yl]-4-[(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136899488
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
5-[1-(cyclohexylmethyl)piperidin-4-yl]-11-(2-methylpropanoyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98079515
4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136673443

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one (CID 136860306) is 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one is CC(C)C(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(CC4CCCCC4)CC3)n2)C1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is HYENFLRFXVUNSV-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-18(2)25(31)29-12-6-9-21(17-29)22-15-23(30)27-24(26-22)20-10-13-28(14-11-20)16-19-7-4-3-5-8-19/h15,18-21H,3-14,16-17H2,1-2H3,(H,26,27,30)/t21-/m1/s1.
What are the key properties of 2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one?
2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 428.62 g/mol, XLogP of 3.89, 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-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136860306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).