5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C20H25N3O4 — CID 70742023

IUPAC5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC(C(O)CCc2ccccc2)CC1
InChIInChI=1S/C20H25N3O4/c24-17(7-6-14-4-2-1-3-5-14)15-8-10-23(11-9-15)18(25)12-16-13-21-20(27)22-19(16)26/h1-5,13,15,17,24H,6-12H2,(H2,21,22,26,27)
InChIKeyLMOIAVYTNVNUBR-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.84
Rot. Bonds6

About 5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70742023) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID70742023
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC(C(O)CCc2ccccc2)CC1
InChIInChI=1S/C20H25N3O4/c24-17(7-6-14-4-2-1-3-5-14)15-8-10-23(11-9-15)18(25)12-16-13-21-20(27)22-19(16)26/h1-5,13,15,17,24H,6-12H2,(H2,21,22,26,27)
InChIKeyLMOIAVYTNVNUBR-UHFFFAOYSA-N
XLogP0.84
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 70742023) is 5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC(C(O)CCc2ccccc2)CC1.
What is the InChIKey of 5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LMOIAVYTNVNUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c24-17(7-6-14-4-2-1-3-5-14)15-8-10-23(11-9-15)18(25)12-16-13-21-20(27)22-19(16)26/h1-5,13,15,17,24H,6-12H2,(H2,21,22,26,27).
What are the key properties of 5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70742023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).