6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione

C20H26N4O3 — CID 47066108

IUPAC6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(N(C)c2ccccc2)CC1
InChIInChI=1S/C20H26N4O3/c1-14-17(19(26)22-20(27)21-14)8-9-18(25)24-12-10-16(11-13-24)23(2)15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H2,21,22,26,27)
InChIKeyWIIWPVCBPHWABZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.43
Rot. Bonds5

About 6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione (PubChem CID 47066108) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione
PubChem CID47066108
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(N(C)c2ccccc2)CC1
InChIInChI=1S/C20H26N4O3/c1-14-17(19(26)22-20(27)21-14)8-9-18(25)24-12-10-16(11-13-24)23(2)15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H2,21,22,26,27)
InChIKeyWIIWPVCBPHWABZ-UHFFFAOYSA-N
XLogP1.43
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 103901104
6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione
CID 62045733
6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione
CID 30839513
6-methyl-5-[3-oxo-3-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidine-2,4-dione
CID 166240833
N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 136578286
5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 94637332
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900206
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one
CID 56796258
1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 136579513
2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900175
N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865391
6-methyl-5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 72878302

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione (CID 47066108) is 6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(N(C)c2ccccc2)CC1.
What is the InChIKey of 6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WIIWPVCBPHWABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-17(19(26)22-20(27)21-14)8-9-18(25)24-12-10-16(11-13-24)23(2)15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H2,21,22,26,27).
What are the key properties of 6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 47066108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).