1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

C18H23N5O4 — CID 90641438

IUPAC1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCCC(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C18H23N5O4/c24-14-5-8-22(18(26)19-14)9-6-16(25)23-7-1-2-12(11-23)10-15-20-17(21-27-15)13-3-4-13/h5,8,12-13H,1-4,6-7,9-11H2,(H,19,24,26)
InChIKeyRMTFYUSEPDFMFE-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.67
Rot. Bonds6

About 1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 90641438) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID90641438
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCCC(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C18H23N5O4/c24-14-5-8-22(18(26)19-14)9-6-16(25)23-7-1-2-12(11-23)10-15-20-17(21-27-15)13-3-4-13/h5,8,12-13H,1-4,6-7,9-11H2,(H,19,24,26)
InChIKeyRMTFYUSEPDFMFE-UHFFFAOYSA-N
XLogP0.67
TPSA114.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 90641438) is 1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC(Cc2nc(C3CC3)no2)C1.
What is the InChIKey of 1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is RMTFYUSEPDFMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c24-14-5-8-22(18(26)19-14)9-6-16(25)23-7-1-2-12(11-23)10-15-20-17(21-27-15)13-3-4-13/h5,8,12-13H,1-4,6-7,9-11H2,(H,19,24,26).
What are the key properties of 1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 373.41 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 90641438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).