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

C19H27ClN4O2 — CID 119813905

IUPACN-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1noc(-c2ccccc2)n1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-13(16-9-6-10-20-12-16)11-17(24)21-14(2)18-22-19(25-23-18)15-7-4-3-5-8-15;/h3-5,7-8,13-14,16,20H,6,9-12H2,1-2H3,(H,21,24);1H
InChIKeyLQWMYLAHQYOAOB-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.36
Rot. Bonds6

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

N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119813905) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119813905
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC NameN-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1noc(-c2ccccc2)n1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-13(16-9-6-10-20-12-16)11-17(24)21-14(2)18-22-19(25-23-18)15-7-4-3-5-8-15;/h3-5,7-8,13-14,16,20H,6,9-12H2,1-2H3,(H,21,24);1H
InChIKeyLQWMYLAHQYOAOB-UHFFFAOYSA-N
XLogP3.36
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119813753
N-(4-phenyl-1,3-thiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670223
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride
CID 119340920
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119787157
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119813905) is N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(NC(=O)CC(C)C1CCCNC1)c1noc(-c2ccccc2)n1.Cl.
What is the InChIKey of N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is LQWMYLAHQYOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-13(16-9-6-10-20-12-16)11-17(24)21-14(2)18-22-19(25-23-18)15-7-4-3-5-8-15;/h3-5,7-8,13-14,16,20H,6,9-12H2,1-2H3,(H,21,24);1H.
What are the key properties of N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119813905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).