5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

C17H21N5O3 — CID 72868566

IUPAC5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)c(=O)[nH]1
InChIInChI=1S/C17H21N5O3/c1-10-18-9-13(15(23)19-10)17(24)22-6-4-11(5-7-22)8-14-20-16(25-21-14)12-2-3-12/h9,11-12H,2-8H2,1H3,(H,18,19,23)
InChIKeyLIHARWDIQVGLRL-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.43
Rot. Bonds4

About 5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 72868566) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID72868566
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)c(=O)[nH]1
InChIInChI=1S/C17H21N5O3/c1-10-18-9-13(15(23)19-10)17(24)22-6-4-11(5-7-22)8-14-20-16(25-21-14)12-2-3-12/h9,11-12H,2-8H2,1H3,(H,18,19,23)
InChIKeyLIHARWDIQVGLRL-UHFFFAOYSA-N
XLogP1.43
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-methyl-6-({4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}carbonyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 91771444
1-{3-[(R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidyl]-3-oxopropyl}-2,4(1H,3H)-pyrimidinedione
CID 100064225
6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72047917
5-({3-[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}carbonyl)-2-methylpyrimidin-4-ol
CID 72904128
2-Methyl-5-({4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl}carbonyl)pyrimidin-4-ol
CID 72928595
1-(3-(3-((3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl)piperidin-1-yl)-3-oxopropyl)pyrimidine-2,4(1H,3H)-dione
CID 90641438
3-methyl-5-(2-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)pyrimidine-2,4(1H,3H)-dione
CID 91762023
1-(2-{4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)pyrimidine-2,4(1H,3H)-dione
CID 91774958
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 91950824
N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 91950869
1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91950870
1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 91950871

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 72868566) is 5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is LIHARWDIQVGLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-10-18-9-13(15(23)19-10)17(24)22-6-4-11(5-7-22)8-14-20-16(25-21-14)12-2-3-12/h9,11-12H,2-8H2,1H3,(H,18,19,23).
What are the key properties of 5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 343.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 72868566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).