N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide

C20H28N4O3 — CID 119787157

IUPACN-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccccc1C(NC(=O)CC(C)C1CCCNC1)c1noc(C)n1
InChIInChI=1S/C20H28N4O3/c1-13(15-7-6-10-21-12-15)11-18(25)23-19(20-22-14(2)27-24-20)16-8-4-5-9-17(16)26-3/h4-5,8-9,13,15,19,21H,6-7,10-12H2,1-3H3,(H,23,25)
InChIKeyWVJNXUWTIPTQQD-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.62
Rot. Bonds7

About N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide

N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide (PubChem CID 119787157) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide
PubChem CID119787157
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccccc1C(NC(=O)CC(C)C1CCCNC1)c1noc(C)n1
InChIInChI=1S/C20H28N4O3/c1-13(15-7-6-10-21-12-15)11-18(25)23-19(20-22-14(2)27-24-20)16-8-4-5-9-17(16)26-3/h4-5,8-9,13,15,19,21H,6-7,10-12H2,1-3H3,(H,23,25)
InChIKeyWVJNXUWTIPTQQD-UHFFFAOYSA-N
XLogP2.62
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide with MolForge

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Related Compounds

N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
CID 119816785
(2S)-N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-2-carboxamide
CID 124687547
N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119813905
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
(2S)-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbutanamide
CID 95380023
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119813753
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939242
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119713316
(3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
CID 124595201
3-amino-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 119787151
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbut-2-enamide
CID 95380039

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide (CID 119787157) is N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide is COc1ccccc1C(NC(=O)CC(C)C1CCCNC1)c1noc(C)n1.
What is the InChIKey of N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is WVJNXUWTIPTQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13(15-7-6-10-21-12-15)11-18(25)23-19(20-22-14(2)27-24-20)16-8-4-5-9-17(16)26-3/h4-5,8-9,13,15,19,21H,6-7,10-12H2,1-3H3,(H,23,25).
What are the key properties of N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide?
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 372.47 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119787157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).