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

C18H28N6O3 — CID 128967063

IUPACN-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCCCc1nc(CN2CCCC(c3[nH]ncc3C(=O)NCCOC)C2)no1
InChIInChI=1S/C18H28N6O3/c1-3-5-16-21-15(23-27-16)12-24-8-4-6-13(11-24)17-14(10-20-22-17)18(25)19-7-9-26-2/h10,13H,3-9,11-12H2,1-2H3,(H,19,25)(H,20,22)
InChIKeyYWXZSXZVKJFUCW-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.50
Rot. Bonds9

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

N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 128967063) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID128967063
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC NameN-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCCCc1nc(CN2CCCC(c3[nH]ncc3C(=O)NCCOC)C2)no1
InChIInChI=1S/C18H28N6O3/c1-3-5-16-21-15(23-27-16)12-24-8-4-6-13(11-24)17-14(10-20-22-17)18(25)19-7-9-26-2/h10,13H,3-9,11-12H2,1-2H3,(H,19,25)(H,20,22)
InChIKeyYWXZSXZVKJFUCW-UHFFFAOYSA-N
XLogP1.50
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 129323946
N-(2-methoxyethyl)-5-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 129323945
N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 129324681
(3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 129324417
methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038420
5-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514043
5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
CID 50975531
N,N-dimethyl-5-[(3S)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124953653
5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124749327
(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 125438766
N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92611232
[1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol
CID 111442495

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 128967063) is N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is CCCc1nc(CN2CCCC(c3[nH]ncc3C(=O)NCCOC)C2)no1.
What is the InChIKey of N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is YWXZSXZVKJFUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-3-5-16-21-15(23-27-16)12-24-8-4-6-13(11-24)17-14(10-20-22-17)18(25)19-7-9-26-2/h10,13H,3-9,11-12H2,1-2H3,(H,19,25)(H,20,22).
What are the key properties of N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128967063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).