N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C18H30N4O3 — CID 91843291

IUPACN-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCn1c(=O)[nH]cc(CCNC(=O)CC2CC(C)(C)NC(C)(C)C2)c1=O
InChIInChI=1S/C18H30N4O3/c1-17(2)9-12(10-18(3,4)21-17)8-14(23)19-7-6-13-11-20-16(25)22(5)15(13)24/h11-12,21H,6-10H2,1-5H3,(H,19,23)(H,20,25)
InChIKeyGMIPAXICHVQANE-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.68
Rot. Bonds5

About N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 91843291) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID91843291
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCn1c(=O)[nH]cc(CCNC(=O)CC2CC(C)(C)NC(C)(C)C2)c1=O
InChIInChI=1S/C18H30N4O3/c1-17(2)9-12(10-18(3,4)21-17)8-14(23)19-7-6-13-11-20-16(25)22(5)15(13)24/h11-12,21H,6-10H2,1-5H3,(H,19,23)(H,20,25)
InChIKeyGMIPAXICHVQANE-UHFFFAOYSA-N
XLogP0.68
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclohexylmethyl)-3-piperidinyl]-2-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide
CID 56893684
2-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}acetamide
CID 56915461
5-Ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione
CID 66329914
1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 72912145
5-[2-(1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodec-4-yl)-2-oxoethyl]-2,4(1H,3H)-pyrimidinedione
CID 72941252
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 95869492
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 95869493
(3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97143168
(3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97143169
5-[2-[(6S)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 97157002
5-[2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 97157003
5-piperidin-3-yl-1H-pyrimidine-2,4-dione
CID 115020166

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 91843291) is N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is Cn1c(=O)[nH]cc(CCNC(=O)CC2CC(C)(C)NC(C)(C)C2)c1=O.
What is the InChIKey of N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is GMIPAXICHVQANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-17(2)9-12(10-18(3,4)21-17)8-14(23)19-7-6-13-11-20-16(25)22(5)15(13)24/h11-12,21H,6-10H2,1-5H3,(H,19,23)(H,20,25).
What are the key properties of N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 350.46 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 91843291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).