5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

C16H26N4O3 — CID 56884941

IUPAC5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCCC1CCN(C)C
InChIInChI=1S/C16H26N4O3/c1-11-13(15(22)18-16(23)17-11)10-14(21)20-8-5-4-6-12(20)7-9-19(2)3/h12H,4-10H2,1-3H3,(H2,17,18,22,23)
InChIKeyAXCINAVMKPHUNE-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.25
Rot. Bonds5

About 5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 56884941) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID56884941
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCCC1CCN(C)C
InChIInChI=1S/C16H26N4O3/c1-11-13(15(22)18-16(23)17-11)10-14(21)20-8-5-4-6-12(20)7-9-19(2)3/h12H,4-10H2,1-3H3,(H2,17,18,22,23)
InChIKeyAXCINAVMKPHUNE-UHFFFAOYSA-N
XLogP0.25
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

N-cyclohexyl-2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 44088730
6-methyl-5-[2-oxo-2-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 16677619
5-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undec-4-yl)-2-oxoethyl]-6-methylpyrimidine-2,4(1H,3H)-dione
CID 56748010
6-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-2,4(1H,3H)-pyrimidinedione
CID 70772941
5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione
CID 69294271
3-cyclohexyl-6-ethyl-5-methyl-1H-pyrimidine-2,4-dione
CID 153827017
3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione
CID 154153413
N-(1-cyclopropylpiperidin-4-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 36267974
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 43045372
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 45354289
6-methyl-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-pyrimidine-2,4-dione
CID 45802189
N-(1-acetylpiperidin-4-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 45802204

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 56884941) is 5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCCC1CCN(C)C.
What is the InChIKey of 5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is AXCINAVMKPHUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11-13(15(22)18-16(23)17-11)10-14(21)20-8-5-4-6-12(20)7-9-19(2)3/h12H,4-10H2,1-3H3,(H2,17,18,22,23).
What are the key properties of 5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56884941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).