N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide

C26H33N5O3 — CID 55627920

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N2CCN(Cc3nc(-c4ccccc4C)no3)CC2)cc1
InChIInChI=1S/C26H33N5O3/c1-19-6-4-5-7-23(19)25-28-24(34-29-25)18-30-14-16-31(17-15-30)20(2)26(32)27-13-12-21-8-10-22(33-3)11-9-21/h4-11,20H,12-18H2,1-3H3,(H,27,32)
InChIKeyGRSFWOYAISBRMC-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.92
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide

N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 55627920) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
PubChem CID55627920
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N2CCN(Cc3nc(-c4ccccc4C)no3)CC2)cc1
InChIInChI=1S/C26H33N5O3/c1-19-6-4-5-7-23(19)25-28-24(34-29-25)18-30-14-16-31(17-15-30)20(2)26(32)27-13-12-21-8-10-22(33-3)11-9-21/h4-11,20H,12-18H2,1-3H3,(H,27,32)
InChIKeyGRSFWOYAISBRMC-UHFFFAOYSA-N
XLogP2.92
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 55701772
methyl 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetate
CID 34552390
2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 56802864
5-[(4-methoxyphenyl)methyl]-3-[[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione
CID 39008311
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926786
3-(2,5-dimethoxyphenyl)-1-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 37091333
methyl 4-[2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethoxy]benzoate
CID 55832427
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 43929734
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 38138415
(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide
CID 30666744
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 55432612

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide (CID 55627920) is N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide is COc1ccc(CCNC(=O)C(C)N2CCN(Cc3nc(-c4ccccc4C)no3)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is GRSFWOYAISBRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-19-6-4-5-7-23(19)25-28-24(34-29-25)18-30-14-16-31(17-15-30)20(2)26(32)27-13-12-21-8-10-22(33-3)11-9-21/h4-11,20H,12-18H2,1-3H3,(H,27,32).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 463.58 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55627920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).