N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide

C18H28N4O3 — CID 56896504

IUPACN-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide
SMILESCN(CC1(N2CCCCC2)CCCCC1)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O3/c1-21(16(24)14-12-19-17(25)20-15(14)23)13-18(8-4-2-5-9-18)22-10-6-3-7-11-22/h12H,2-11,13H2,1H3,(H2,19,20,23,25)
InChIKeyPQEBXOKIMJCROY-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.32
Rot. Bonds4

About N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide

N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 56896504) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide
PubChem CID56896504
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide
SMILESCN(CC1(N2CCCCC2)CCCCC1)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O3/c1-21(16(24)14-12-19-17(25)20-15(14)23)13-18(8-4-2-5-9-18)22-10-6-3-7-11-22/h12H,2-11,13H2,1H3,(H2,19,20,23,25)
InChIKeyPQEBXOKIMJCROY-UHFFFAOYSA-N
XLogP1.32
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

1-[1-(Cyclohexylmethyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione
CID 137651218
tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate
CID 164642570
1,3-Dimethyl-2,4-dioxo-6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidine-5-carbonitrile
CID 45862889
1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 91771412
1-[4-[4-(Cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
CID 66737088
1-[4-[4-(2-Cyclohexylethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
CID 66737894
3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 175771449
N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43595125
5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 55086294
5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodec-11-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 56749235
2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}acetamide
CID 56889558
N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56891064

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide (CID 56896504) is N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide is CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is PQEBXOKIMJCROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-21(16(24)14-12-19-17(25)20-15(14)23)13-18(8-4-2-5-9-18)22-10-6-3-7-11-22/h12H,2-11,13H2,1H3,(H2,19,20,23,25).
What are the key properties of N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56896504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).