1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide

C17H26N6O2 — CID 164633962

IUPAC1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCCc1nc(N2CCC[C@H](CNC(=O)c3cnn(C)c3C)C2)no1
InChIInChI=1S/C17H26N6O2/c1-4-6-15-20-17(21-25-15)23-8-5-7-13(11-23)9-18-16(24)14-10-19-22(3)12(14)2/h10,13H,4-9,11H2,1-3H3,(H,18,24)/t13-/m1/s1
InChIKeyXKDOOAIYKNEYGL-CYBMUJFWSA-N
MW346.44 g/mol
LogP1.71
Rot. Bonds6

About 1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 164633962) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID164633962
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCCc1nc(N2CCC[C@H](CNC(=O)c3cnn(C)c3C)C2)no1
InChIInChI=1S/C17H26N6O2/c1-4-6-15-20-17(21-25-15)23-8-5-7-13(11-23)9-18-16(24)14-10-19-22(3)12(14)2/h10,13H,4-9,11H2,1-3H3,(H,18,24)/t13-/m1/s1
InChIKeyXKDOOAIYKNEYGL-CYBMUJFWSA-N
XLogP1.71
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide (CID 164633962) is 1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide is CCCc1nc(N2CCC[C@H](CNC(=O)c3cnn(C)c3C)C2)no1.
What is the InChIKey of 1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is XKDOOAIYKNEYGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-4-6-15-20-17(21-25-15)23-8-5-7-13(11-23)9-18-16(24)14-10-19-22(3)12(14)2/h10,13H,4-9,11H2,1-3H3,(H,18,24)/t13-/m1/s1.
What are the key properties of 1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 164633962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).