1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione

C14H21N3O4 — CID 62357456

IUPAC1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(CC(=O)N2CCCC(CCO)C2)c1=O
InChIInChI=1S/C14H21N3O4/c1-15-12(19)4-7-17(14(15)21)10-13(20)16-6-2-3-11(9-16)5-8-18/h4,7,11,18H,2-3,5-6,8-10H2,1H3
InChIKeyKOAMHRUYEPPRFS-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.83
Rot. Bonds4

About 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione

1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione (PubChem CID 62357456) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
PubChem CID62357456
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(CC(=O)N2CCCC(CCO)C2)c1=O
InChIInChI=1S/C14H21N3O4/c1-15-12(19)4-7-17(14(15)21)10-13(20)16-6-2-3-11(9-16)5-8-18/h4,7,11,18H,2-3,5-6,8-10H2,1H3
InChIKeyKOAMHRUYEPPRFS-UHFFFAOYSA-N
XLogP-0.83
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione (CID 62357456) is 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)ccn(CC(=O)N2CCCC(CCO)C2)c1=O.
What is the InChIKey of 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is KOAMHRUYEPPRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-15-12(19)4-7-17(14(15)21)10-13(20)16-6-2-3-11(9-16)5-8-18/h4,7,11,18H,2-3,5-6,8-10H2,1H3.
What are the key properties of 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 295.34 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 62357456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).