5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C17H26N4O3 — CID 72875435

IUPAC5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCC(C2CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)CC1
InChIInChI=1S/C17H26N4O3/c1-20-6-2-12(3-7-20)13-4-8-21(9-5-13)15(22)10-14-11-18-17(24)19-16(14)23/h11-13H,2-10H2,1H3,(H2,18,19,23,24)
InChIKeyWIIKZWZFPXHAMO-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.19
Rot. Bonds3

About 5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72875435) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID72875435
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCC(C2CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)CC1
InChIInChI=1S/C17H26N4O3/c1-20-6-2-12(3-7-20)13-4-8-21(9-5-13)15(22)10-14-11-18-17(24)19-16(14)23/h11-13H,2-10H2,1H3,(H2,18,19,23,24)
InChIKeyWIIKZWZFPXHAMO-UHFFFAOYSA-N
XLogP0.19
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 72875435) is 5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CN1CCC(C2CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)CC1.
What is the InChIKey of 5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WIIKZWZFPXHAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20-6-2-12(3-7-20)13-4-8-21(9-5-13)15(22)10-14-11-18-17(24)19-16(14)23/h11-13H,2-10H2,1H3,(H2,18,19,23,24).
What are the key properties of 5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 334.42 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72875435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).