N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride

C20H29ClN4O2 — CID 119815843

IUPACN-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCc1noc(-c2ccc(C)c(NC(=O)CC(C)C3CCCNC3)c2)n1.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-4-18-23-20(26-24-18)15-8-7-13(2)17(11-15)22-19(25)10-14(3)16-6-5-9-21-12-16;/h7-8,11,14,16,21H,4-6,9-10,12H2,1-3H3,(H,22,25);1H
InChIKeyIZBIXWHZVQTHEZ-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.99
Rot. Bonds6

About N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119815843) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119815843
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC NameN-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCc1noc(-c2ccc(C)c(NC(=O)CC(C)C3CCCNC3)c2)n1.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-4-18-23-20(26-24-18)15-8-7-13(2)17(11-15)22-19(25)10-14(3)16-6-5-9-21-12-16;/h7-8,11,14,16,21H,4-6,9-10,12H2,1-3H3,(H,22,25);1H
InChIKeyIZBIXWHZVQTHEZ-UHFFFAOYSA-N
XLogP3.99
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119714058
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119725834
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714059
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea
CID 126789590
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714185
N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119813905
N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119711254
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119808894

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119815843) is N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride is CCc1noc(-c2ccc(C)c(NC(=O)CC(C)C3CCCNC3)c2)n1.Cl.
What is the InChIKey of N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is IZBIXWHZVQTHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.ClH/c1-4-18-23-20(26-24-18)15-8-7-13(2)17(11-15)22-19(25)10-14(3)16-6-5-9-21-12-16;/h7-8,11,14,16,21H,4-6,9-10,12H2,1-3H3,(H,22,25);1H.
What are the key properties of N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119815843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).