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

C19H26N4O2 — CID 71939627

IUPAC2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
SMILESCc1noc(C2CCCN(C(C)C(=O)NC(C)c3ccccc3)C2)n1
InChIInChI=1S/C19H26N4O2/c1-13(16-8-5-4-6-9-16)20-18(24)14(2)23-11-7-10-17(12-23)19-21-15(3)22-25-19/h4-6,8-9,13-14,17H,7,10-12H2,1-3H3,(H,20,24)
InChIKeyBWWKLPDTPZIZNT-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.82
Rot. Bonds5

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

2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide (PubChem CID 71939627) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
PubChem CID71939627
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
SMILESCc1noc(C2CCCN(C(C)C(=O)NC(C)c3ccccc3)C2)n1
InChIInChI=1S/C19H26N4O2/c1-13(16-8-5-4-6-9-16)20-18(24)14(2)23-11-7-10-17(12-23)19-21-15(3)22-25-19/h4-6,8-9,13-14,17H,7,10-12H2,1-3H3,(H,20,24)
InChIKeyBWWKLPDTPZIZNT-UHFFFAOYSA-N
XLogP2.82
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 124859531
(2R)-N-cyclopropyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenylacetamide
CID 98857991
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
CID 119920377
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
ethyl (3R)-1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidine-3-carboxylate
CID 27069320
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 60565475
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
(2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 94455628
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenylethanone
CID 56540355
N-[[dimethyl(phenyl)silyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119038571

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide (CID 71939627) is 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide is Cc1noc(C2CCCN(C(C)C(=O)NC(C)c3ccccc3)C2)n1.
What is the InChIKey of 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide?
The InChIKey is BWWKLPDTPZIZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(16-8-5-4-6-9-16)20-18(24)14(2)23-11-7-10-17(12-23)19-21-15(3)22-25-19/h4-6,8-9,13-14,17H,7,10-12H2,1-3H3,(H,20,24).
What are the key properties of 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide?
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 71939627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).