N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride

C19H29ClN6O2 — CID 154906002

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
SMILESCN(Cc1noc(C2CCCC2)n1)C(=O)Cn1ccc(C2CCCNC2)n1.Cl
InChIInChI=1S/C19H28N6O2.ClH/c1-24(12-17-21-19(27-23-17)14-5-2-3-6-14)18(26)13-25-10-8-16(22-25)15-7-4-9-20-11-15;/h8,10,14-15,20H,2-7,9,11-13H2,1H3;1H
InChIKeyFFAGBIFWNLMKKC-UHFFFAOYSA-N
MW408.93 g/mol
LogP2.47
Rot. Bonds6

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride (PubChem CID 154906002) has the molecular formula C19H29ClN6O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
PubChem CID154906002
Molecular FormulaC19H29ClN6O2
Molecular Weight408.93 g/mol
Exact Mass408.20
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
SMILESCN(Cc1noc(C2CCCC2)n1)C(=O)Cn1ccc(C2CCCNC2)n1.Cl
InChIInChI=1S/C19H28N6O2.ClH/c1-24(12-17-21-19(27-23-17)14-5-2-3-6-14)18(26)13-25-10-8-16(22-25)15-7-4-9-20-11-15;/h8,10,14-15,20H,2-7,9,11-13H2,1H3;1H
InChIKeyFFAGBIFWNLMKKC-UHFFFAOYSA-N
XLogP2.47
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride (CID 154906002) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride is CN(Cc1noc(C2CCCC2)n1)C(=O)Cn1ccc(C2CCCNC2)n1.Cl.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride?
The InChIKey is FFAGBIFWNLMKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2.ClH/c1-24(12-17-21-19(27-23-17)14-5-2-3-6-14)18(26)13-25-10-8-16(22-25)15-7-4-9-20-11-15;/h8,10,14-15,20H,2-7,9,11-13H2,1H3;1H.
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 154906002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).