6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

C18H28N4O3 — CID 51499543

IUPAC6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCC[C@@H]1CN1CCCCC1
InChIInChI=1S/C18H28N4O3/c1-13-15(17(24)20-18(25)19-13)11-16(23)22-10-6-3-7-14(22)12-21-8-4-2-5-9-21/h14H,2-12H2,1H3,(H2,19,20,24,25)/t14-/m1/s1
InChIKeySAEKLLSEYDWQDC-CQSZACIVSA-N
MW348.45 g/mol
LogP0.78
Rot. Bonds4

About 6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 51499543) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID51499543
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCC[C@@H]1CN1CCCCC1
InChIInChI=1S/C18H28N4O3/c1-13-15(17(24)20-18(25)19-13)11-16(23)22-10-6-3-7-14(22)12-21-8-4-2-5-9-21/h14H,2-12H2,1H3,(H2,19,20,24,25)/t14-/m1/s1
InChIKeySAEKLLSEYDWQDC-CQSZACIVSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 51499543) is 6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCC[C@@H]1CN1CCCCC1.
What is the InChIKey of 6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is SAEKLLSEYDWQDC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-15(17(24)20-18(25)19-13)11-16(23)22-10-6-3-7-14(22)12-21-8-4-2-5-9-21/h14H,2-12H2,1H3,(H2,19,20,24,25)/t14-/m1/s1.
What are the key properties of 6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 348.45 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-oxo-2-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 51499543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).