3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide

C26H32N4O2 — CID 92896631

IUPAC3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide
SMILESCC1CCN(c2ccc(-c3noc(CCC(=O)NC[C@@H](C)c4ccccc4)n3)cc2)CC1
InChIInChI=1S/C26H32N4O2/c1-19-14-16-30(17-15-19)23-10-8-22(9-11-23)26-28-25(32-29-26)13-12-24(31)27-18-20(2)21-6-4-3-5-7-21/h3-11,19-20H,12-18H2,1-2H3,(H,27,31)/t20-/m1/s1
InChIKeyYARYSKZWDUCDHV-HXUWFJFHSA-N
MW432.57 g/mol
LogP4.83
Rot. Bonds8

About 3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide

3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 92896631) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID92896631
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide
SMILESCC1CCN(c2ccc(-c3noc(CCC(=O)NC[C@@H](C)c4ccccc4)n3)cc2)CC1
InChIInChI=1S/C26H32N4O2/c1-19-14-16-30(17-15-19)23-10-8-22(9-11-23)26-28-25(32-29-26)13-12-24(31)27-18-20(2)21-6-4-3-5-7-21/h3-11,19-20H,12-18H2,1-2H3,(H,27,31)/t20-/m1/s1
InChIKeyYARYSKZWDUCDHV-HXUWFJFHSA-N
XLogP4.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 60551762
N-(2-phenylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 42957633
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 16601007
N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50832078
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 70725512
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 42936730
N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46512546
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 46390874
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46493557
N-[(2-methoxyphenyl)methyl]-3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50832232
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 100762680
N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55535788

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of 3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide (CID 92896631) is 3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for 3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for 3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide is CC1CCN(c2ccc(-c3noc(CCC(=O)NC[C@@H](C)c4ccccc4)n3)cc2)CC1.
What is the InChIKey of 3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is YARYSKZWDUCDHV-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19-14-16-30(17-15-19)23-10-8-22(9-11-23)26-28-25(32-29-26)13-12-24(31)27-18-20(2)21-6-4-3-5-7-21/h3-11,19-20H,12-18H2,1-2H3,(H,27,31)/t20-/m1/s1.
What are the key properties of 3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide?
3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 432.57 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 92896631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).