N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride

C25H40ClN5O2 — CID 170355306

IUPACN-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride
SMILESCCCCCCCCCCc1ccc(-c2noc(CNC(=O)CN3CCNCC3)n2)cc1.Cl
InChIInChI=1S/C25H39N5O2.ClH/c1-2-3-4-5-6-7-8-9-10-21-11-13-22(14-12-21)25-28-24(32-29-25)19-27-23(31)20-30-17-15-26-16-18-30;/h11-14,26H,2-10,15-20H2,1H3,(H,27,31);1H
InChIKeyKYWRXFJQPVMSOB-UHFFFAOYSA-N
MW478.08 g/mol
LogP4.36
Rot. Bonds14

About N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride

N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride (PubChem CID 170355306) has the molecular formula C25H40ClN5O2 and a molecular weight of 478.08 g/mol. Its IUPAC name is N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride
PubChem CID170355306
Molecular FormulaC25H40ClN5O2
Molecular Weight478.08 g/mol
Exact Mass477.29
IUPAC NameN-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride
SMILESCCCCCCCCCCc1ccc(-c2noc(CNC(=O)CN3CCNCC3)n2)cc1.Cl
InChIInChI=1S/C25H39N5O2.ClH/c1-2-3-4-5-6-7-8-9-10-21-11-13-22(14-12-21)25-28-24(32-29-25)19-27-23(31)20-30-17-15-26-16-18-30;/h11-14,26H,2-10,15-20H2,1H3,(H,27,31);1H
InChIKeyKYWRXFJQPVMSOB-UHFFFAOYSA-N
XLogP4.36
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.08
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-N-[[3-(4-heptylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxypyrrolidine-2-carboxamide
CID 45256740
(3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 170355224
N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azepane-2-carboxamide;hydrochloride
CID 170355364
(2S)-2-amino-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 170355390
(2S)-2-amino-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxypropanamide
CID 170355360
tert-butyl N-[4-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-oxobutyl]carbamate
CID 170422176
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperazin-1-ylacetamide
CID 61014230
[(2S)-1-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 170355423
(2S,4R)-2-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 170355370
5-amino-6-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-6-oxohexanoic acid
CID 170355190
N-butyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 46508857
2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120833829

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride?
The IUPAC name of N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride (CID 170355306) is N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride is CCCCCCCCCCc1ccc(-c2noc(CNC(=O)CN3CCNCC3)n2)cc1.Cl.
What is the InChIKey of N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride?
The InChIKey is KYWRXFJQPVMSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O2.ClH/c1-2-3-4-5-6-7-8-9-10-21-11-13-22(14-12-21)25-28-24(32-29-25)19-27-23(31)20-30-17-15-26-16-18-30;/h11-14,26H,2-10,15-20H2,1H3,(H,27,31);1H.
What are the key properties of N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride?
N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride has a molecular weight of 478.08 g/mol, XLogP of 4.36, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 170355306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).