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

C27H34N4O2 — CID 45249822

IUPAC3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
SMILESO=C(CCc1nnc(CCc2ccccc2)o1)NCC1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C27H34N4O2/c32-25(14-16-27-30-29-26(33-27)15-13-22-8-3-1-4-9-22)28-20-24-12-7-18-31(21-24)19-17-23-10-5-2-6-11-23/h1-6,8-11,24H,7,12-21H2,(H,28,32)
InChIKeyXYNRJJXVQPAAPO-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.86
Rot. Bonds11

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

3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide (PubChem CID 45249822) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
PubChem CID45249822
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
SMILESO=C(CCc1nnc(CCc2ccccc2)o1)NCC1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C27H34N4O2/c32-25(14-16-27-30-29-26(33-27)15-13-22-8-3-1-4-9-22)28-20-24-12-7-18-31(21-24)19-17-23-10-5-2-6-11-23/h1-6,8-11,24H,7,12-21H2,(H,28,32)
InChIKeyXYNRJJXVQPAAPO-UHFFFAOYSA-N
XLogP3.86
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 126453520
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
CID 126427116
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 120565090
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565089
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 45208830
2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]acetamide
CID 25385090
(4S)-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-4H-1,3-benzodioxine-4-carboxamide
CID 51709316
1-[[(2S)-oxolan-2-yl]methyl]-3-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 95320670
1-methyl-1-(1,2-oxazol-3-ylmethyl)-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]urea
CID 126438052

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide (CID 45249822) is 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide is O=C(CCc1nnc(CCc2ccccc2)o1)NCC1CCCN(CCc2ccccc2)C1.
What is the InChIKey of 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide?
The InChIKey is XYNRJJXVQPAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c32-25(14-16-27-30-29-26(33-27)15-13-22-8-3-1-4-9-22)28-20-24-12-7-18-31(21-24)19-17-23-10-5-2-6-11-23/h1-6,8-11,24H,7,12-21H2,(H,28,32).
What are the key properties of 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide?
3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide has a molecular weight of 446.60 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 45249822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).