2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide

C22H26N4O2 — CID 60525714

IUPAC2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCc1noc(C2CCN(CC(=O)NC(C)c3cccc4ccccc34)CC2)n1
InChIInChI=1S/C22H26N4O2/c1-15(19-9-5-7-17-6-3-4-8-20(17)19)23-21(27)14-26-12-10-18(11-13-26)22-24-16(2)25-28-22/h3-9,15,18H,10-14H2,1-2H3,(H,23,27)
InChIKeyKXLJUALYWHRHRY-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.59
Rot. Bonds5

About 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide (PubChem CID 60525714) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
PubChem CID60525714
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCc1noc(C2CCN(CC(=O)NC(C)c3cccc4ccccc34)CC2)n1
InChIInChI=1S/C22H26N4O2/c1-15(19-9-5-7-17-6-3-4-8-20(17)19)23-21(27)14-26-12-10-18(11-13-26)22-24-16(2)25-28-22/h3-9,15,18H,10-14H2,1-2H3,(H,23,27)
InChIKeyKXLJUALYWHRHRY-UHFFFAOYSA-N
XLogP3.59
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 146124572
N-methyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 60570907
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 60568381
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 41104934
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 111442554
2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 129351669
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94544768
N-(2-methoxyethyl)-2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24507241
N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30625656
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8549558
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide (CID 60525714) is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide is Cc1noc(C2CCN(CC(=O)NC(C)c3cccc4ccccc34)CC2)n1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?
The InChIKey is KXLJUALYWHRHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(19-9-5-7-17-6-3-4-8-20(17)19)23-21(27)14-26-12-10-18(11-13-26)22-24-16(2)25-28-22/h3-9,15,18H,10-14H2,1-2H3,(H,23,27).
What are the key properties of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 60525714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).