6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione

C18H27N5O4 — CID 31869531

IUPAC6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H27N5O4/c1-13-14(16(25)20-17(26)19-13)5-6-15(24)21-9-11-23(12-10-21)18(27)22-7-3-2-4-8-22/h2-12H2,1H3,(H2,19,20,25,26)
InChIKeyOMEVZWZEQZLXKH-UHFFFAOYSA-N
MW377.45 g/mol
LogP0.05
Rot. Bonds3

About 6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione (PubChem CID 31869531) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
PubChem CID31869531
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H27N5O4/c1-13-14(16(25)20-17(26)19-13)5-6-15(24)21-9-11-23(12-10-21)18(27)22-7-3-2-4-8-22/h2-12H2,1H3,(H2,19,20,25,26)
InChIKeyOMEVZWZEQZLXKH-UHFFFAOYSA-N
XLogP0.05
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione (CID 31869531) is 6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of 6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OMEVZWZEQZLXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-13-14(16(25)20-17(26)19-13)5-6-15(24)21-9-11-23(12-10-21)18(27)22-7-3-2-4-8-22/h2-12H2,1H3,(H2,19,20,25,26).
What are the key properties of 6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 377.45 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 31869531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).