N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C25H30ClN5O2 — CID 3237661

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C25H30ClN5O2/c1-19-6-8-20(9-7-19)25-28-24(33-29-25)11-10-23(32)27-12-3-13-30-14-16-31(17-15-30)22-5-2-4-21(26)18-22/h2,4-9,18H,3,10-17H2,1H3,(H,27,32)
InChIKeyJCLWLOGOGKBEGR-UHFFFAOYSA-N
MW468.00 g/mol
LogP3.96
Rot. Bonds9

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3237661) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3237661
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C25H30ClN5O2/c1-19-6-8-20(9-7-19)25-28-24(33-29-25)11-10-23(32)27-12-3-13-30-14-16-31(17-15-30)22-5-2-4-21(26)18-22/h2,4-9,18H,3,10-17H2,1H3,(H,27,32)
InChIKeyJCLWLOGOGKBEGR-UHFFFAOYSA-N
XLogP3.96
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3237661) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)n2)cc1.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is JCLWLOGOGKBEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-19-6-8-20(9-7-19)25-28-24(33-29-25)11-10-23(32)27-12-3-13-30-14-16-31(17-15-30)22-5-2-4-21(26)18-22/h2,4-9,18H,3,10-17H2,1H3,(H,27,32).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 468.00 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3237661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).