N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide

C17H22N6O3 — CID 91915752

IUPACN-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCc1noc([C@H]2CCN(C(=O)c3ccnn3C)C[C@H]2NC(=O)C2CC2)n1
InChIInChI=1S/C17H22N6O3/c1-10-19-16(26-21-10)12-6-8-23(17(25)14-5-7-18-22(14)2)9-13(12)20-15(24)11-3-4-11/h5,7,11-13H,3-4,6,8-9H2,1-2H3,(H,20,24)/t12-,13+/m0/s1
InChIKeyNISURZILLKMUKS-QWHCGFSZSA-N
MW358.40 g/mol
LogP0.64
Rot. Bonds4

About N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide

N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 91915752) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID91915752
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC NameN-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCc1noc([C@H]2CCN(C(=O)c3ccnn3C)C[C@H]2NC(=O)C2CC2)n1
InChIInChI=1S/C17H22N6O3/c1-10-19-16(26-21-10)12-6-8-23(17(25)14-5-7-18-22(14)2)9-13(12)20-15(24)11-3-4-11/h5,7,11-13H,3-4,6,8-9H2,1-2H3,(H,20,24)/t12-,13+/m0/s1
InChIKeyNISURZILLKMUKS-QWHCGFSZSA-N
XLogP0.64
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide (CID 91915752) is N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide is Cc1noc([C@H]2CCN(C(=O)c3ccnn3C)C[C@H]2NC(=O)C2CC2)n1.
What is the InChIKey of N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is NISURZILLKMUKS-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-10-19-16(26-21-10)12-6-8-23(17(25)14-5-7-18-22(14)2)9-13(12)20-15(24)11-3-4-11/h5,7,11-13H,3-4,6,8-9H2,1-2H3,(H,20,24)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91915752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).